3-(cyclohexanecarbonylamino)-N-methyl-N-phenylbenzamide

C21H24N2O2 — CID 17227771

IUPAC3-(cyclohexanecarbonylamino)-N-methyl-N-phenylbenzamide
SMILESCN(C(=O)c1cccc(NC(=O)C2CCCCC2)c1)c1ccccc1
InChIInChI=1S/C21H24N2O2/c1-23(19-13-6-3-7-14-19)21(25)17-11-8-12-18(15-17)22-20(24)16-9-4-2-5-10-16/h3,6-8,11-16H,2,4-5,9-10H2,1H3,(H,22,24)
InChIKeyQKIIMFRTPSZNRI-UHFFFAOYSA-N
MW336.44 g/mol
LogP4.48
Rot. Bonds4

About 3-(cyclohexanecarbonylamino)-N-methyl-N-phenylbenzamide

3-(cyclohexanecarbonylamino)-N-methyl-N-phenylbenzamide (PubChem CID 17227771) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 3-(cyclohexanecarbonylamino)-N-methyl-N-phenylbenzamide.

Molecular Properties

Compound Name3-(cyclohexanecarbonylamino)-N-methyl-N-phenylbenzamide
PubChem CID17227771
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name3-(cyclohexanecarbonylamino)-N-methyl-N-phenylbenzamide
SMILESCN(C(=O)c1cccc(NC(=O)C2CCCCC2)c1)c1ccccc1
InChIInChI=1S/C21H24N2O2/c1-23(19-13-6-3-7-14-19)21(25)17-11-8-12-18(15-17)22-20(24)16-9-4-2-5-10-16/h3,6-8,11-16H,2,4-5,9-10H2,1H3,(H,22,24)
InChIKeyQKIIMFRTPSZNRI-UHFFFAOYSA-N
XLogP4.48
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(cyclohexanecarbonylamino)-N,N-dimethylbenzamide
CID 17231797
3-(cyclopentanecarbonylamino)-N,N-dimethylbenzamide
CID 29331430
trans-(1R,3R)-2,2-dimethyl-3-[[3-[methyl(phenyl)carbamoyl]phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 95391491
3-[(1-aminocyclohexanecarbonyl)amino]-N-methyl-N-phenylbenzamide
CID 119284412
1-[2-[3-[methyl(phenyl)carbamoyl]anilino]-2-oxoethyl]cyclobutane-1-carboxylic acid
CID 120549335
N-[3-(dimethylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 43709947
2-(cyclopropanecarbonylamino)-N-methyl-N-phenylpyridine-4-carboxamide
CID 136541713
3-(cyclohexanecarbonylamino)-N-(3-phenylprop-2-ynyl)benzamide
CID 55651913
3-[(4-chlorophenyl)carbamoylamino]-N-methyl-N-phenylbenzamide
CID 17227739
N-[3-[cyclohexyl(cyclopentanecarbonyl)amino]phenyl]cyclopentanecarboxamide
CID 141094117
3-(cyclohexanecarbonylamino)-N-methoxybenzamide
CID 38039849
N-[3-[methyl(methylsulfonyl)amino]phenyl]cyclopentanecarboxamide
CID 56921673

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexanecarbonylamino)-N-methyl-N-phenylbenzamide?
The IUPAC name of 3-(cyclohexanecarbonylamino)-N-methyl-N-phenylbenzamide (CID 17227771) is 3-(cyclohexanecarbonylamino)-N-methyl-N-phenylbenzamide.
What is the SMILES notation for 3-(cyclohexanecarbonylamino)-N-methyl-N-phenylbenzamide?
The canonical SMILES for 3-(cyclohexanecarbonylamino)-N-methyl-N-phenylbenzamide is CN(C(=O)c1cccc(NC(=O)C2CCCCC2)c1)c1ccccc1.
What is the InChIKey of 3-(cyclohexanecarbonylamino)-N-methyl-N-phenylbenzamide?
The InChIKey is QKIIMFRTPSZNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-23(19-13-6-3-7-14-19)21(25)17-11-8-12-18(15-17)22-20(24)16-9-4-2-5-10-16/h3,6-8,11-16H,2,4-5,9-10H2,1H3,(H,22,24).
What are the key properties of 3-(cyclohexanecarbonylamino)-N-methyl-N-phenylbenzamide?
3-(cyclohexanecarbonylamino)-N-methyl-N-phenylbenzamide has a molecular weight of 336.44 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexanecarbonylamino)-N-methyl-N-phenylbenzamide is sourced from PubChem (CID 17227771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).