N-(2-methylcyclohexyl)-3-(2-oxopyrrolidin-1-yl)benzamide

C18H24N2O2 — CID 4063191

IUPACN-(2-methylcyclohexyl)-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESCC1CCCCC1NC(=O)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C18H24N2O2/c1-13-6-2-3-9-16(13)19-18(22)14-7-4-8-15(12-14)20-11-5-10-17(20)21/h4,7-8,12-13,16H,2-3,5-6,9-11H2,1H3,(H,19,22)
InChIKeyUDZYQBZLJPOJIT-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.12
Rot. Bonds3

About N-(2-methylcyclohexyl)-3-(2-oxopyrrolidin-1-yl)benzamide

N-(2-methylcyclohexyl)-3-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 4063191) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is N-(2-methylcyclohexyl)-3-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-(2-methylcyclohexyl)-3-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID4063191
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC NameN-(2-methylcyclohexyl)-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESCC1CCCCC1NC(=O)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C18H24N2O2/c1-13-6-2-3-9-16(13)19-18(22)14-7-4-8-15(12-14)20-11-5-10-17(20)21/h4,7-8,12-13,16H,2-3,5-6,9-11H2,1H3,(H,19,22)
InChIKeyUDZYQBZLJPOJIT-UHFFFAOYSA-N
XLogP3.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R,2S)-2-(hydroxymethyl)cycloheptyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 97011465
N-cyclooctyl-3-(2-oxopyrrolidin-1-yl)benzamide
CID 4229482
4-chloro-N-[(1R,2R)-2-methylcyclohexyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9273089
N-(2-methylpiperidin-4-yl)-3-(2-oxopyrrolidin-1-yl)benzamide;hydrochloride
CID 120601523
N-(1-cyclopropylpiperidin-4-yl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 86921682
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 119456953
3-(2-oxopiperidin-1-yl)benzoic acid
CID 24689039
[(2R)-1-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl] 3-(2-oxopyrrolidin-1-yl)benzoate
CID 11932534
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-oxopyrrolidin-1-yl)benzamide;hydrochloride
CID 119456952
N-(3,4-dihydro-2H-chromen-4-yl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 18115302
3-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]azetidine-1-carboxamide
CID 146022903
N-[(1R,2S)-2-methylcyclohexyl]-3-(tetrazol-1-yl)benzamide
CID 28935459

Frequently Asked Questions

What is the IUPAC name of N-(2-methylcyclohexyl)-3-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-(2-methylcyclohexyl)-3-(2-oxopyrrolidin-1-yl)benzamide (CID 4063191) is N-(2-methylcyclohexyl)-3-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-(2-methylcyclohexyl)-3-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-(2-methylcyclohexyl)-3-(2-oxopyrrolidin-1-yl)benzamide is CC1CCCCC1NC(=O)c1cccc(N2CCCC2=O)c1.
What is the InChIKey of N-(2-methylcyclohexyl)-3-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is UDZYQBZLJPOJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-13-6-2-3-9-16(13)19-18(22)14-7-4-8-15(12-14)20-11-5-10-17(20)21/h4,7-8,12-13,16H,2-3,5-6,9-11H2,1H3,(H,19,22).
What are the key properties of N-(2-methylcyclohexyl)-3-(2-oxopyrrolidin-1-yl)benzamide?
N-(2-methylcyclohexyl)-3-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 300.40 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylcyclohexyl)-3-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 4063191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).