N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]cyclopentanecarboxamide

C25H32N2O2 — CID 46046019

IUPACN-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]cyclopentanecarboxamide
SMILESCc1cccc(CN(C(=O)C2CCCC2)c2ccc(CC(=O)NC(C)C)cc2)c1
InChIInChI=1S/C25H32N2O2/c1-18(2)26-24(28)16-20-11-13-23(14-12-20)27(25(29)22-9-4-5-10-22)17-21-8-6-7-19(3)15-21/h6-8,11-15,18,22H,4-5,9-10,16-17H2,1-3H3,(H,26,28)
InChIKeyJCYFXCPWTIURMK-UHFFFAOYSA-N
MW392.54 g/mol
LogP4.79
Rot. Bonds7

About N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]cyclopentanecarboxamide

N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]cyclopentanecarboxamide (PubChem CID 46046019) has the molecular formula C25H32N2O2 and a molecular weight of 392.54 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]cyclopentanecarboxamide
PubChem CID46046019
Molecular FormulaC25H32N2O2
Molecular Weight392.54 g/mol
Exact Mass392.25
IUPAC NameN-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]cyclopentanecarboxamide
SMILESCc1cccc(CN(C(=O)C2CCCC2)c2ccc(CC(=O)NC(C)C)cc2)c1
InChIInChI=1S/C25H32N2O2/c1-18(2)26-24(28)16-20-11-13-23(14-12-20)27(25(29)22-9-4-5-10-22)17-21-8-6-7-19(3)15-21/h6-8,11-15,18,22H,4-5,9-10,16-17H2,1-3H3,(H,26,28)
InChIKeyJCYFXCPWTIURMK-UHFFFAOYSA-N
XLogP4.79
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.54
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]cyclopentanecarboxamide 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-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-[(4-propan-2-ylphenyl)methylamino]ethyl]phenyl]cyclopentanecarboxamide
CID 170566196
N-[(3-fluorophenyl)methyl]-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 46045906
N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]phenyl]cyclopentanecarboxamide
CID 46052727
N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]phenyl]cyclopentanecarboxamide
CID 42856764
N-[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]cyclopentanecarboxamide
CID 46046017
N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(2-phenylethylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 46046353
N-benzyl-N-[4-[2-(2-methylpropylamino)-2-oxoethyl]phenyl]cyclopentanecarboxamide
CID 46052504
N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 46046355
N-[3-[2-(3-methylanilino)-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]cyclopentanecarboxamide
CID 42859607
N-[(4-methylphenyl)methyl]-N-[3-[2-oxo-2-(propylamino)ethyl]phenyl]cyclopentanecarboxamide
CID 46057025
N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]-N-[(2-methylphenyl)methyl]cyclopentanecarboxamide
CID 46045707
N-[4-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]-N-[(3-fluorophenyl)methyl]cyclopentanecarboxamide
CID 46052623

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]cyclopentanecarboxamide?
The IUPAC name of N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]cyclopentanecarboxamide (CID 46046019) is N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]cyclopentanecarboxamide?
The canonical SMILES for N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]cyclopentanecarboxamide is Cc1cccc(CN(C(=O)C2CCCC2)c2ccc(CC(=O)NC(C)C)cc2)c1.
What is the InChIKey of N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]cyclopentanecarboxamide?
The InChIKey is JCYFXCPWTIURMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O2/c1-18(2)26-24(28)16-20-11-13-23(14-12-20)27(25(29)22-9-4-5-10-22)17-21-8-6-7-19(3)15-21/h6-8,11-15,18,22H,4-5,9-10,16-17H2,1-3H3,(H,26,28).
What are the key properties of N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]cyclopentanecarboxamide?
N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]cyclopentanecarboxamide has a molecular weight of 392.54 g/mol, XLogP of 4.79, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]cyclopentanecarboxamide is sourced from PubChem (CID 46046019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).