3-(2-methylphenyl)-N-(4-oxocyclohexyl)propanamide

C16H21NO2 — CID 62365696

IUPAC3-(2-methylphenyl)-N-(4-oxocyclohexyl)propanamide
SMILESCc1ccccc1CCC(=O)NC1CCC(=O)CC1
InChIInChI=1S/C16H21NO2/c1-12-4-2-3-5-13(12)6-11-16(19)17-14-7-9-15(18)10-8-14/h2-5,14H,6-11H2,1H3,(H,17,19)
InChIKeySAPZJHOTBYRBAV-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.56
Rot. Bonds4

About 3-(2-methylphenyl)-N-(4-oxocyclohexyl)propanamide

3-(2-methylphenyl)-N-(4-oxocyclohexyl)propanamide (PubChem CID 62365696) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 3-(2-methylphenyl)-N-(4-oxocyclohexyl)propanamide.

Molecular Properties

Compound Name3-(2-methylphenyl)-N-(4-oxocyclohexyl)propanamide
PubChem CID62365696
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name3-(2-methylphenyl)-N-(4-oxocyclohexyl)propanamide
SMILESCc1ccccc1CCC(=O)NC1CCC(=O)CC1
InChIInChI=1S/C16H21NO2/c1-12-4-2-3-5-13(12)6-11-16(19)17-14-7-9-15(18)10-8-14/h2-5,14H,6-11H2,1H3,(H,17,19)
InChIKeySAPZJHOTBYRBAV-UHFFFAOYSA-N
XLogP2.56
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(2-methylphenyl)-N-(4-oxocyclohexyl)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-(azetidin-3-yl)-3-(2-methylphenyl)propanamide
CID 66186748
N-(1-ethylsulfonylpiperidin-4-yl)-3-(2-methylphenyl)propanamide
CID 110823020
N-(4-oxocyclohexyl)-2-phenylacetamide
CID 43652835
3-(2-methylphenyl)-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)propanamide
CID 110736722
2-[3-(2-methylphenyl)propanoylamino]cyclohexane-1-carboxylic acid
CID 64812084
4-[[2-(2-methylphenyl)ethylamino]methyl]cyclohexan-1-one
CID 115240249
N-cycloheptyl-3-[(2-methylphenyl)methylsulfanyl]propanamide
CID 4193377
N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-3-(2-methylphenyl)propanamide
CID 163863609
N-(4-hydroxycyclohexyl)-3-(2-hydroxyphenyl)propanamide
CID 43394595
1-cyclopropyl-3-(2-methylphenyl)propan-1-one
CID 24725657
N-cyclopropyl-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331054
3-(2-methylphenyl)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120556745

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)-N-(4-oxocyclohexyl)propanamide?
The IUPAC name of 3-(2-methylphenyl)-N-(4-oxocyclohexyl)propanamide (CID 62365696) is 3-(2-methylphenyl)-N-(4-oxocyclohexyl)propanamide.
What is the SMILES notation for 3-(2-methylphenyl)-N-(4-oxocyclohexyl)propanamide?
The canonical SMILES for 3-(2-methylphenyl)-N-(4-oxocyclohexyl)propanamide is Cc1ccccc1CCC(=O)NC1CCC(=O)CC1.
What is the InChIKey of 3-(2-methylphenyl)-N-(4-oxocyclohexyl)propanamide?
The InChIKey is SAPZJHOTBYRBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-12-4-2-3-5-13(12)6-11-16(19)17-14-7-9-15(18)10-8-14/h2-5,14H,6-11H2,1H3,(H,17,19).
What are the key properties of 3-(2-methylphenyl)-N-(4-oxocyclohexyl)propanamide?
3-(2-methylphenyl)-N-(4-oxocyclohexyl)propanamide has a molecular weight of 259.35 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)-N-(4-oxocyclohexyl)propanamide is sourced from PubChem (CID 62365696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).