3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methyl-N-propylbenzamide

C22H26N2O2 — CID 44578844

IUPAC3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methyl-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(C)c(-c2ccc(C(=O)NCC3CC3)cc2)c1
InChIInChI=1S/C22H26N2O2/c1-3-12-23-22(26)19-7-4-15(2)20(13-19)17-8-10-18(11-9-17)21(25)24-14-16-5-6-16/h4,7-11,13,16H,3,5-6,12,14H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyOANOYUOOOJQIPT-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.94
Rot. Bonds7

About 3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methyl-N-propylbenzamide

3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methyl-N-propylbenzamide (PubChem CID 44578844) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methyl-N-propylbenzamide.

Molecular Properties

Compound Name3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methyl-N-propylbenzamide
PubChem CID44578844
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methyl-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(C)c(-c2ccc(C(=O)NCC3CC3)cc2)c1
InChIInChI=1S/C22H26N2O2/c1-3-12-23-22(26)19-7-4-15(2)20(13-19)17-8-10-18(11-9-17)21(25)24-14-16-5-6-16/h4,7-11,13,16H,3,5-6,12,14H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyOANOYUOOOJQIPT-UHFFFAOYSA-N
XLogP3.94
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methyl-N-propylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N'-dicyclohexyl-2,6-naphthalenedicarboxamide
CID 21987656
AR-M1000390
CID 9841259
4-methyl-N-(2-phenylethyl)benzamide
CID 723105
4-(1,1-Dimethylethyl)-N-(phenylmethyl)benzamide
CID 809338
3,4-dihydro-5-methyl-1(2H)-isoquinolinone
CID 148140
N,N-diethyl-4-((3-fluorophenyl)(piperidin-4-ylidene)methyl)benzamide
CID 10570940
Bunaftine
CID 36131
N-Ethyl-3-toluamide
CID 93103
4-Tert-butyl-N-(2-phenylethyl)benzamide
CID 809340
N~3~-cyclopropyl-N~4~'-(cyclopropylmethyl)-6-methylbiphenyl-3,4'-dicarboxamide
CID 24856363
N-(3,3-diphenylpropyl)benzamide
CID 1220236
N-[3-(benzoylamino)propyl]benzamide
CID 255782

Frequently Asked Questions

What is the IUPAC name of 3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methyl-N-propylbenzamide?
The IUPAC name of 3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methyl-N-propylbenzamide (CID 44578844) is 3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methyl-N-propylbenzamide.
What is the SMILES notation for 3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methyl-N-propylbenzamide?
The canonical SMILES for 3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methyl-N-propylbenzamide is CCCNC(=O)c1ccc(C)c(-c2ccc(C(=O)NCC3CC3)cc2)c1.
What is the InChIKey of 3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methyl-N-propylbenzamide?
The InChIKey is OANOYUOOOJQIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-3-12-23-22(26)19-7-4-15(2)20(13-19)17-8-10-18(11-9-17)21(25)24-14-16-5-6-16/h4,7-11,13,16H,3,5-6,12,14H2,1-2H3,(H,23,26)(H,24,25).
What are the key properties of 3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methyl-N-propylbenzamide?
3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methyl-N-propylbenzamide has a molecular weight of 350.46 g/mol, XLogP of 3.94, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methyl-N-propylbenzamide is sourced from PubChem (CID 44578844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).