N-cyclopentyl-N-[(2-methylphenyl)methyl]-3-(2-oxoazepan-1-yl)propanamide

C22H32N2O2 — CID 131944371

IUPACN-cyclopentyl-N-[(2-methylphenyl)methyl]-3-(2-oxoazepan-1-yl)propanamide
SMILESCc1ccccc1CN(C(=O)CCN1CCCCCC1=O)C1CCCC1
InChIInChI=1S/C22H32N2O2/c1-18-9-4-5-10-19(18)17-24(20-11-6-7-12-20)22(26)14-16-23-15-8-2-3-13-21(23)25/h4-5,9-10,20H,2-3,6-8,11-17H2,1H3
InChIKeyDFJBORWUDAFPFG-UHFFFAOYSA-N
MW356.51 g/mol
LogP4.06
Rot. Bonds6

About N-cyclopentyl-N-[(2-methylphenyl)methyl]-3-(2-oxoazepan-1-yl)propanamide

N-cyclopentyl-N-[(2-methylphenyl)methyl]-3-(2-oxoazepan-1-yl)propanamide (PubChem CID 131944371) has the molecular formula C22H32N2O2 and a molecular weight of 356.51 g/mol. Its IUPAC name is N-cyclopentyl-N-[(2-methylphenyl)methyl]-3-(2-oxoazepan-1-yl)propanamide.

Molecular Properties

Compound NameN-cyclopentyl-N-[(2-methylphenyl)methyl]-3-(2-oxoazepan-1-yl)propanamide
PubChem CID131944371
Molecular FormulaC22H32N2O2
Molecular Weight356.51 g/mol
Exact Mass356.25
IUPAC NameN-cyclopentyl-N-[(2-methylphenyl)methyl]-3-(2-oxoazepan-1-yl)propanamide
SMILESCc1ccccc1CN(C(=O)CCN1CCCCCC1=O)C1CCCC1
InChIInChI=1S/C22H32N2O2/c1-18-9-4-5-10-19(18)17-24(20-11-6-7-12-20)22(26)14-16-23-15-8-2-3-13-21(23)25/h4-5,9-10,20H,2-3,6-8,11-17H2,1H3
InChIKeyDFJBORWUDAFPFG-UHFFFAOYSA-N
XLogP4.06
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-cyclopentyl-N-[(2-methylphenyl)methyl]-3-(2-oxoazepan-1-yl)propanamide 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-cyclopentyl-3-(2-methyl-6-oxo-1-pyridinyl)-N-[(2-methylphenyl)methyl]propanamide
CID 74250271
N-benzyl-N-cyclohexyl-2-(2-oxoazepan-1-yl)acetamide
CID 71890310
N-cyclohexyl-N-methyl-2-(2-oxoazepan-1-yl)acetamide
CID 51075621
N-cyclopentyl-N-ethyl-2-(2-oxopiperidin-1-yl)acetamide
CID 78864293
N-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-3-(2-oxoazepan-1-yl)propanamide
CID 118773707
3-ethyl-1-methyl-1-[(2-methylphenyl)methyl]-2-[3-(2-oxoazepan-1-yl)propyl]guanidine;hydroiodide
CID 111287604
ethyl 3-(2-oxoazepan-1-yl)propanoate
CID 14922094
N-(furan-3-ylmethyl)-N-methyl-3-(2-oxoazepan-1-yl)propanamide
CID 131924744
1-[3-[4-(2-methylphenyl)-1,4-diazepan-1-yl]-3-oxopropyl]azepan-2-one
CID 70711022
1-[(2-hydroxy-3-methylphenyl)methyl]azepan-2-one
CID 71504914
1-[2-(2-methylphenyl)-2-oxoethyl]azocan-2-one
CID 62019552
1-[2-[3-[(2-methylphenyl)methoxy]azetidin-1-yl]-2-oxoethyl]azepan-2-one
CID 72842921

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-[(2-methylphenyl)methyl]-3-(2-oxoazepan-1-yl)propanamide?
The IUPAC name of N-cyclopentyl-N-[(2-methylphenyl)methyl]-3-(2-oxoazepan-1-yl)propanamide (CID 131944371) is N-cyclopentyl-N-[(2-methylphenyl)methyl]-3-(2-oxoazepan-1-yl)propanamide.
What is the SMILES notation for N-cyclopentyl-N-[(2-methylphenyl)methyl]-3-(2-oxoazepan-1-yl)propanamide?
The canonical SMILES for N-cyclopentyl-N-[(2-methylphenyl)methyl]-3-(2-oxoazepan-1-yl)propanamide is Cc1ccccc1CN(C(=O)CCN1CCCCCC1=O)C1CCCC1.
What is the InChIKey of N-cyclopentyl-N-[(2-methylphenyl)methyl]-3-(2-oxoazepan-1-yl)propanamide?
The InChIKey is DFJBORWUDAFPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O2/c1-18-9-4-5-10-19(18)17-24(20-11-6-7-12-20)22(26)14-16-23-15-8-2-3-13-21(23)25/h4-5,9-10,20H,2-3,6-8,11-17H2,1H3.
What are the key properties of N-cyclopentyl-N-[(2-methylphenyl)methyl]-3-(2-oxoazepan-1-yl)propanamide?
N-cyclopentyl-N-[(2-methylphenyl)methyl]-3-(2-oxoazepan-1-yl)propanamide has a molecular weight of 356.51 g/mol, XLogP of 4.06, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-[(2-methylphenyl)methyl]-3-(2-oxoazepan-1-yl)propanamide is sourced from PubChem (CID 131944371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).