Home > Compound List > Compound details
MFCD04206349 molecular structure
click picture or here to close

2-[(furan-2-ylmethyl)amino]-N-(propan-2-yl)acetamide

ChemBase ID: 35507
Molecular Formular: C10H16N2O2
Molecular Mass: 196.24624
Monoisotopic Mass: 196.12117776
SMILES and InChIs

SMILES:
C(=O)(NC(C)C)CNCc1occc1
Canonical SMILES:
CC(NC(=O)CNCc1ccco1)C
InChI:
InChI=1S/C10H16N2O2/c1-8(2)12-10(13)7-11-6-9-4-3-5-14-9/h3-5,8,11H,6-7H2,1-2H3,(H,12,13)
InChIKey:
JANWNRPDWMPMLI-UHFFFAOYSA-N

Cite this record

CBID:35507 http://www.chembase.cn/molecule-35507.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[(furan-2-ylmethyl)amino]-N-(propan-2-yl)acetamide
IUPAC Traditional name
2-[(furan-2-ylmethyl)amino]-N-isopropylacetamide
Synonyms
2-[(2-Furylmethyl)amino]-N-isopropylacetamide
MDL Number
MFCD04206349
PubChem SID
160998814
PubChem CID
1459289

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
038280 external link Add to cart Please log in.
Data Source Data ID
PubChem 1459289 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.983  H Acceptors
H Donor LogD (pH = 5.5) -1.2543837 
LogD (pH = 7.4) 0.11190927  Log P 0.25994104 
Molar Refractivity 53.6678 cm3 Polarizability 20.981077 Å3
Polar Surface Area 54.27 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false 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