N-(3-methylphenyl)-1-(2-oxoazetidin-1-yl)cyclohexane-1-carboxamide

C17H22N2O2 — CID 691768

IUPACN-(3-methylphenyl)-1-(2-oxoazetidin-1-yl)cyclohexane-1-carboxamide
SMILESCc1cccc(NC(=O)C2(N3CCC3=O)CCCCC2)c1
InChIInChI=1S/C17H22N2O2/c1-13-6-5-7-14(12-13)18-16(21)17(9-3-2-4-10-17)19-11-8-15(19)20/h5-7,12H,2-4,8-11H2,1H3,(H,18,21)
InChIKeyCCCPXXVIXPMFNO-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.87
Rot. Bonds3

About N-(3-methylphenyl)-1-(2-oxoazetidin-1-yl)cyclohexane-1-carboxamide

N-(3-methylphenyl)-1-(2-oxoazetidin-1-yl)cyclohexane-1-carboxamide (PubChem CID 691768) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-(3-methylphenyl)-1-(2-oxoazetidin-1-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-1-(2-oxoazetidin-1-yl)cyclohexane-1-carboxamide
PubChem CID691768
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC NameN-(3-methylphenyl)-1-(2-oxoazetidin-1-yl)cyclohexane-1-carboxamide
SMILESCc1cccc(NC(=O)C2(N3CCC3=O)CCCCC2)c1
InChIInChI=1S/C17H22N2O2/c1-13-6-5-7-14(12-13)18-16(21)17(9-3-2-4-10-17)19-11-8-15(19)20/h5-7,12H,2-4,8-11H2,1H3,(H,18,21)
InChIKeyCCCPXXVIXPMFNO-UHFFFAOYSA-N
XLogP2.87
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-methylphenyl)carbamoyl]cyclohexene-1-carboxylic acid
CID 53270346
N-(3-methylphenyl)-2-oxopyrrolidine-1-carboxamide
CID 71380614
4-amino-N-(3-methylphenyl)bicyclo[2.2.2]octane-1-carboxamide;ethane
CID 143919440
(2,5-dioxopyrrolidin-1-yl) N-(3-methylphenyl)carbamate
CID 88553951
2-(azocan-1-yl)-N-(3-methylphenyl)acetamide
CID 2655272
2-[1-(methylamino)cyclohexyl]-N-(3-methylphenyl)acetamide
CID 65240773
3-hydroxy-N-(3-methylphenyl)piperidine-3-carboxamide
CID 84726978
1-N-(3-bromophenyl)-1-N'-(3-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108980810
1-cyano-N-(3-methylphenyl)cyclopropane-1-carboxamide
CID 80599319
N-(3-methylphenyl)acetamide
CID 10843
1-(4-formylpiperazine-1-carbonyl)-N-(3-methylphenyl)cyclopropane-1-carboxamide
CID 108974310
2-[[1-(dimethylamino)cyclopentyl]methylamino]-N-(3-methylphenyl)acetamide
CID 78915363

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-1-(2-oxoazetidin-1-yl)cyclohexane-1-carboxamide?
The IUPAC name of N-(3-methylphenyl)-1-(2-oxoazetidin-1-yl)cyclohexane-1-carboxamide (CID 691768) is N-(3-methylphenyl)-1-(2-oxoazetidin-1-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(3-methylphenyl)-1-(2-oxoazetidin-1-yl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(3-methylphenyl)-1-(2-oxoazetidin-1-yl)cyclohexane-1-carboxamide is Cc1cccc(NC(=O)C2(N3CCC3=O)CCCCC2)c1.
What is the InChIKey of N-(3-methylphenyl)-1-(2-oxoazetidin-1-yl)cyclohexane-1-carboxamide?
The InChIKey is CCCPXXVIXPMFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-13-6-5-7-14(12-13)18-16(21)17(9-3-2-4-10-17)19-11-8-15(19)20/h5-7,12H,2-4,8-11H2,1H3,(H,18,21).
What are the key properties of N-(3-methylphenyl)-1-(2-oxoazetidin-1-yl)cyclohexane-1-carboxamide?
N-(3-methylphenyl)-1-(2-oxoazetidin-1-yl)cyclohexane-1-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-1-(2-oxoazetidin-1-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 691768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).