Home > Compound List > Compound details
349096-38-4 molecular structure
click picture or here to close

N-benzyl-3-methyl-N-(propan-2-yl)benzamide

ChemBase ID: 300495
Molecular Formular: C18H21NO
Molecular Mass: 267.36544
Monoisotopic Mass: 267.1623143
SMILES and InChIs

SMILES:
Cc1cccc(c1)C(=O)N(Cc1ccccc1)C(C)C
Canonical SMILES:
Cc1cccc(c1)C(=O)N(C(C)C)Cc1ccccc1
InChI:
InChI=1S/C18H21NO/c1-14(2)19(13-16-9-5-4-6-10-16)18(20)17-11-7-8-15(3)12-17/h4-12,14H,13H2,1-3H3
InChIKey:
HALAOZZIEMLHQL-UHFFFAOYSA-N

Cite this record

CBID:300495 http://www.chembase.cn/molecule-300495.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-benzyl-3-methyl-N-(propan-2-yl)benzamide
IUPAC Traditional name
N-benzyl-N-isopropyl-3-methylbenzamide
Synonyms
N-Benzyl-N-isopropyl-3-methylbenzamide
CAS Number
349096-38-4
MDL Number
MFCD00784147

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
Alfa Aesar H59205 external link Add to cart
Data Source Data ID Price
Alfa Aesar
H59205 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.2825155  LogD (pH = 7.4) 4.2825155 
Log P 4.2825155  Molar Refractivity 83.751 cm3
Polarizability 31.917435 Å3 Polar Surface Area 20.31 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37-60 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501 expand Show data source
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle