2-methyl-N-[(2-methylcyclopentyl)methyl]-4-(propylamino)benzamide

C18H28N2O — CID 107420570

IUPAC2-methyl-N-[(2-methylcyclopentyl)methyl]-4-(propylamino)benzamide
SMILESCCCNc1ccc(C(=O)NCC2CCCC2C)c(C)c1
InChIInChI=1S/C18H28N2O/c1-4-10-19-16-8-9-17(14(3)11-16)18(21)20-12-15-7-5-6-13(15)2/h8-9,11,13,15,19H,4-7,10,12H2,1-3H3,(H,20,21)
InChIKeyLLQAEMWICSIGBT-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.98
Rot. Bonds6

About 2-methyl-N-[(2-methylcyclopentyl)methyl]-4-(propylamino)benzamide

2-methyl-N-[(2-methylcyclopentyl)methyl]-4-(propylamino)benzamide (PubChem CID 107420570) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 2-methyl-N-[(2-methylcyclopentyl)methyl]-4-(propylamino)benzamide.

Molecular Properties

Compound Name2-methyl-N-[(2-methylcyclopentyl)methyl]-4-(propylamino)benzamide
PubChem CID107420570
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name2-methyl-N-[(2-methylcyclopentyl)methyl]-4-(propylamino)benzamide
SMILESCCCNc1ccc(C(=O)NCC2CCCC2C)c(C)c1
InChIInChI=1S/C18H28N2O/c1-4-10-19-16-8-9-17(14(3)11-16)18(21)20-12-15-7-5-6-13(15)2/h8-9,11,13,15,19H,4-7,10,12H2,1-3H3,(H,20,21)
InChIKeyLLQAEMWICSIGBT-UHFFFAOYSA-N
XLogP3.98
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-methyl-N-[(2-methylcyclopentyl)methyl]-4-(propylamino)benzamide 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-[(2-methylcyclohexyl)methyl]-4-(propylamino)benzamide
CID 62181510
4-hydroxy-3-methyl-N-[(2-methylcyclopentyl)methyl]benzamide
CID 107676879
4-(3-hydroxypropylamino)-2-methyl-N-propylbenzamide
CID 142889038
2-fluoro-5-methyl-N-[(2-methylcyclohexyl)methyl]benzamide
CID 62512195
5-fluoro-2-hydroxy-N-[(2-methylcyclopentyl)methyl]benzamide
CID 107418921
4,5-difluoro-2-[(2-methylcyclopentyl)methylcarbamoyl]benzoic acid
CID 107416687
N-(2-ethoxy-2-methylpropyl)-2-methyl-4-(propylamino)benzamide
CID 114944148
4-[(2-methylcyclopentyl)methylamino]-2-(trifluoromethyl)benzoic acid
CID 107420706
N-(3,3-dimethylcyclopentyl)-2-methyl-4-(propylamino)benzamide
CID 114540826
2-(ethylamino)-3-fluoro-N-[(2-methylcyclopentyl)methyl]benzamide
CID 107420575
N-(cyclobutylmethyl)-4-(propylamino)benzamide
CID 62170357
4-fluoro-2-methyl-N-[(2-methylcyclopropyl)methyl]benzamide
CID 115745696

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2-methylcyclopentyl)methyl]-4-(propylamino)benzamide?
The IUPAC name of 2-methyl-N-[(2-methylcyclopentyl)methyl]-4-(propylamino)benzamide (CID 107420570) is 2-methyl-N-[(2-methylcyclopentyl)methyl]-4-(propylamino)benzamide.
What is the SMILES notation for 2-methyl-N-[(2-methylcyclopentyl)methyl]-4-(propylamino)benzamide?
The canonical SMILES for 2-methyl-N-[(2-methylcyclopentyl)methyl]-4-(propylamino)benzamide is CCCNc1ccc(C(=O)NCC2CCCC2C)c(C)c1.
What is the InChIKey of 2-methyl-N-[(2-methylcyclopentyl)methyl]-4-(propylamino)benzamide?
The InChIKey is LLQAEMWICSIGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-4-10-19-16-8-9-17(14(3)11-16)18(21)20-12-15-7-5-6-13(15)2/h8-9,11,13,15,19H,4-7,10,12H2,1-3H3,(H,20,21).
What are the key properties of 2-methyl-N-[(2-methylcyclopentyl)methyl]-4-(propylamino)benzamide?
2-methyl-N-[(2-methylcyclopentyl)methyl]-4-(propylamino)benzamide has a molecular weight of 288.44 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2-methylcyclopentyl)methyl]-4-(propylamino)benzamide is sourced from PubChem (CID 107420570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).