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67635-46-5 molecular structure
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N-[2-(diethylamino)ethyl]-4-propanamidobenzamide

ChemBase ID: 150927
Molecular Formular: C16H25N3O2
Molecular Mass: 291.3886
Monoisotopic Mass: 291.19467706
SMILES and InChIs

SMILES:
CCC(=O)Nc1ccc(cc1)C(=O)NCCN(CC)CC
Canonical SMILES:
CCN(CCNC(=O)c1ccc(cc1)NC(=O)CC)CC
InChI:
InChI=1S/C16H25N3O2/c1-4-15(20)18-14-9-7-13(8-10-14)16(21)17-11-12-19(5-2)6-3/h7-10H,4-6,11-12H2,1-3H3,(H,17,21)(H,18,20)
InChIKey:
CTHPVGZIOICAFO-UHFFFAOYSA-N

Cite this record

CBID:150927 http://www.chembase.cn/molecule-150927.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[2-(diethylamino)ethyl]-4-propanamidobenzamide
IUPAC Traditional name
N-[2-(diethylamino)ethyl]-4-propanamidobenzamide
Synonyms
N-Propionylprocainamide
N-丙酰普鲁卡因胺
CAS Number
67635-46-5
MDL Number
MFCD00009299
PubChem SID
162245086
PubChem CID
197959

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
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Data Source Data ID
PubChem 197959 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.600563  H Acceptors
H Donor LogD (pH = 5.5) -1.5033647 
LogD (pH = 7.4) 0.06997578  Log P 1.7180688 
Molar Refractivity 87.0393 cm3 Polarizability 32.454365 Å3
Polar Surface Area 61.44 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
Download expand Show data source
Purity
≥99% expand Show data source
Empirical Formula (Hill Notation)
C16H25N3O2 expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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