N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N,2,3-trimethylbenzamide

C21H24N2O2 — CID 38398694

IUPACN-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N,2,3-trimethylbenzamide
SMILESCc1cccc(C(=O)N(C)Cc2ccc(C(=O)NC3CC3)cc2)c1C
InChIInChI=1S/C21H24N2O2/c1-14-5-4-6-19(15(14)2)21(25)23(3)13-16-7-9-17(10-8-16)20(24)22-18-11-12-18/h4-10,18H,11-13H2,1-3H3,(H,22,24)
InChIKeyJKHSVGUQUUZJCU-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.47
Rot. Bonds5

About N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N,2,3-trimethylbenzamide

N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N,2,3-trimethylbenzamide (PubChem CID 38398694) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N,2,3-trimethylbenzamide.

Molecular Properties

Compound NameN-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N,2,3-trimethylbenzamide
PubChem CID38398694
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC NameN-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N,2,3-trimethylbenzamide
SMILESCc1cccc(C(=O)N(C)Cc2ccc(C(=O)NC3CC3)cc2)c1C
InChIInChI=1S/C21H24N2O2/c1-14-5-4-6-19(15(14)2)21(25)23(3)13-16-7-9-17(10-8-16)20(24)22-18-11-12-18/h4-10,18H,11-13H2,1-3H3,(H,22,24)
InChIKeyJKHSVGUQUUZJCU-UHFFFAOYSA-N
XLogP3.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N,2,3-trimethylbenzamide 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-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-5-(diethylsulfamoyl)-N,2-dimethylbenzamide
CID 38394548
N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N-methyl-3-nitrobenzamide
CID 38393694
4-[(dimethylamino)methyl]-N-(4-hydroxycyclohexyl)benzamide
CID 43393996
N-cyclopropyl-4-[[[(2R)-2-hydroxy-2-phenylacetyl]-methylamino]methyl]benzamide
CID 86781611
N-[(4-cyanophenyl)methyl]-N,2,3-trimethylbenzamide
CID 39858837
5-N-cyclopropyl-3-N-methyl-3-N-[(4-methylphenyl)methyl]-2-oxo-1H-pyridine-3,5-dicarboxamide
CID 126648564
N-cyclopropyl-4-[[methyl-[2-[(4-phenylbenzoyl)amino]acetyl]amino]methyl]benzamide
CID 33360987
N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N-methyl-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 34186155
3,5-dichloro-N-[4-[[4-(cyclopropylcarbamoyl)phenyl]methyl-methylcarbamoyl]phenyl]benzamide
CID 37344285
N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 46565770
N-cyclopropyl-4-[[methyl-(2-methyl-3-nitrophenyl)sulfonylamino]methyl]benzamide
CID 35383768
N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N,2-dimethyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 46565905

Frequently Asked Questions

What is the IUPAC name of N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N,2,3-trimethylbenzamide?
The IUPAC name of N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N,2,3-trimethylbenzamide (CID 38398694) is N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N,2,3-trimethylbenzamide.
What is the SMILES notation for N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N,2,3-trimethylbenzamide?
The canonical SMILES for N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N,2,3-trimethylbenzamide is Cc1cccc(C(=O)N(C)Cc2ccc(C(=O)NC3CC3)cc2)c1C.
What is the InChIKey of N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N,2,3-trimethylbenzamide?
The InChIKey is JKHSVGUQUUZJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-14-5-4-6-19(15(14)2)21(25)23(3)13-16-7-9-17(10-8-16)20(24)22-18-11-12-18/h4-10,18H,11-13H2,1-3H3,(H,22,24).
What are the key properties of N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N,2,3-trimethylbenzamide?
N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N,2,3-trimethylbenzamide has a molecular weight of 336.44 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N,2,3-trimethylbenzamide is sourced from PubChem (CID 38398694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).