N-cyclopropyl-4-[[cyclopropyl(propanoyl)amino]methyl]benzamide

C17H22N2O2 — CID 33341018

IUPACN-cyclopropyl-4-[[cyclopropyl(propanoyl)amino]methyl]benzamide
SMILESCCC(=O)N(Cc1ccc(C(=O)NC2CC2)cc1)C1CC1
InChIInChI=1S/C17H22N2O2/c1-2-16(20)19(15-9-10-15)11-12-3-5-13(6-4-12)17(21)18-14-7-8-14/h3-6,14-15H,2,7-11H2,1H3,(H,18,21)
InChIKeyNCOPQGXBGONUOQ-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.48
Rot. Bonds6

About N-cyclopropyl-4-[[cyclopropyl(propanoyl)amino]methyl]benzamide

N-cyclopropyl-4-[[cyclopropyl(propanoyl)amino]methyl]benzamide (PubChem CID 33341018) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is N-cyclopropyl-4-[[cyclopropyl(propanoyl)amino]methyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[[cyclopropyl(propanoyl)amino]methyl]benzamide
PubChem CID33341018
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC NameN-cyclopropyl-4-[[cyclopropyl(propanoyl)amino]methyl]benzamide
SMILESCCC(=O)N(Cc1ccc(C(=O)NC2CC2)cc1)C1CC1
InChIInChI=1S/C17H22N2O2/c1-2-16(20)19(15-9-10-15)11-12-3-5-13(6-4-12)17(21)18-14-7-8-14/h3-6,14-15H,2,7-11H2,1H3,(H,18,21)
InChIKeyNCOPQGXBGONUOQ-UHFFFAOYSA-N
XLogP2.48
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[[2-(cyclopropanecarbonylamino)acetyl]-cyclopropylamino]methyl]-N-cyclopropylbenzamide
CID 55634418
N-cyclopropyl-4-[[cyclopropyl-[2-(4-fluorophenyl)acetyl]amino]methyl]benzamide
CID 34178957
4-[[(2-cyclohexylacetyl)-cyclopropylamino]methyl]-N-cyclopropylbenzamide
CID 46565694
N-cyclopropyl-4-[[cyclopropyl(3-phenylbutanoyl)amino]methyl]benzamide
CID 134062285
N-cyclopropyl-4-[[cyclopropyl-[2-(4-methoxyphenoxy)acetyl]amino]methyl]benzamide
CID 33341644
N-cyclopropyl-4-[[cyclopropyl-(4-methoxybenzoyl)amino]methyl]benzamide
CID 34178936
N-cyclopropyl-4-[[cyclopropyl-[2-(4-fluorophenyl)sulfanylacetyl]amino]methyl]benzamide
CID 33339728
N-cyclopropyl-4-[[cyclopropyl(3-phenoxypropanoyl)amino]methyl]benzamide
CID 34179021
N-cyclopropyl-4-[[cyclopropyl-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]methyl]benzamide
CID 33342953
N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-3-fluoro-4-methylbenzamide
CID 33344663
4-[[[2-(4-chloro-2-methylphenoxy)acetyl]-cyclopropylamino]methyl]-N-cyclopropylbenzamide
CID 33341817
N-cyclopropyl-4-[[cyclopropyl-[2-(2-nitrophenyl)acetyl]amino]methyl]benzamide
CID 33342098

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[cyclopropyl(propanoyl)amino]methyl]benzamide?
The IUPAC name of N-cyclopropyl-4-[[cyclopropyl(propanoyl)amino]methyl]benzamide (CID 33341018) is N-cyclopropyl-4-[[cyclopropyl(propanoyl)amino]methyl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[[cyclopropyl(propanoyl)amino]methyl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[[cyclopropyl(propanoyl)amino]methyl]benzamide is CCC(=O)N(Cc1ccc(C(=O)NC2CC2)cc1)C1CC1.
What is the InChIKey of N-cyclopropyl-4-[[cyclopropyl(propanoyl)amino]methyl]benzamide?
The InChIKey is NCOPQGXBGONUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-2-16(20)19(15-9-10-15)11-12-3-5-13(6-4-12)17(21)18-14-7-8-14/h3-6,14-15H,2,7-11H2,1H3,(H,18,21).
What are the key properties of N-cyclopropyl-4-[[cyclopropyl(propanoyl)amino]methyl]benzamide?
N-cyclopropyl-4-[[cyclopropyl(propanoyl)amino]methyl]benzamide has a molecular weight of 286.37 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[[cyclopropyl(propanoyl)amino]methyl]benzamide is sourced from PubChem (CID 33341018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).