N-cyclohexyl-3-[(2,2-diphenylacetyl)amino]benzamide

C27H28N2O2 — CID 2239978

IUPACN-cyclohexyl-3-[(2,2-diphenylacetyl)amino]benzamide
SMILESO=C(NC1CCCCC1)c1cccc(NC(=O)C(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C27H28N2O2/c30-26(28-23-16-8-3-9-17-23)22-15-10-18-24(19-22)29-27(31)25(20-11-4-1-5-12-20)21-13-6-2-7-14-21/h1-2,4-7,10-15,18-19,23,25H,3,8-9,16-17H2,(H,28,30)(H,29,31)
InChIKeyXMPFYSTUCFVSNT-UHFFFAOYSA-N
MW412.53 g/mol
LogP5.52
Rot. Bonds6

About N-cyclohexyl-3-[(2,2-diphenylacetyl)amino]benzamide

N-cyclohexyl-3-[(2,2-diphenylacetyl)amino]benzamide (PubChem CID 2239978) has the molecular formula C27H28N2O2 and a molecular weight of 412.53 g/mol. Its IUPAC name is N-cyclohexyl-3-[(2,2-diphenylacetyl)amino]benzamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[(2,2-diphenylacetyl)amino]benzamide
PubChem CID2239978
Molecular FormulaC27H28N2O2
Molecular Weight412.53 g/mol
Exact Mass412.22
IUPAC NameN-cyclohexyl-3-[(2,2-diphenylacetyl)amino]benzamide
SMILESO=C(NC1CCCCC1)c1cccc(NC(=O)C(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C27H28N2O2/c30-26(28-23-16-8-3-9-17-23)22-15-10-18-24(19-22)29-27(31)25(20-11-4-1-5-12-20)21-13-6-2-7-14-21/h1-2,4-7,10-15,18-19,23,25H,3,8-9,16-17H2,(H,28,30)(H,29,31)
InChIKeyXMPFYSTUCFVSNT-UHFFFAOYSA-N
XLogP5.52
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.53
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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3-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide
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CID 54839098
(E)-4-[3-(cyclohexylcarbamoyl)anilino]-4-oxobut-2-enoic acid
CID 17170491
N-cycloheptyl-3-[[(1E,3Z)-1,4-diamino-4-phenylbuta-1,3-dienyl]amino]benzamide
CID 165128942
N-cyclohexyl-3-(2,2-dimethylpropanoylamino)benzamide
CID 17170559
N-cyclopentyl-3-[(4-methylbenzoyl)amino]benzamide
CID 2221852
3-[[2-[3-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide
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CID 142229646

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[(2,2-diphenylacetyl)amino]benzamide?
The IUPAC name of N-cyclohexyl-3-[(2,2-diphenylacetyl)amino]benzamide (CID 2239978) is N-cyclohexyl-3-[(2,2-diphenylacetyl)amino]benzamide.
What is the SMILES notation for N-cyclohexyl-3-[(2,2-diphenylacetyl)amino]benzamide?
The canonical SMILES for N-cyclohexyl-3-[(2,2-diphenylacetyl)amino]benzamide is O=C(NC1CCCCC1)c1cccc(NC(=O)C(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of N-cyclohexyl-3-[(2,2-diphenylacetyl)amino]benzamide?
The InChIKey is XMPFYSTUCFVSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O2/c30-26(28-23-16-8-3-9-17-23)22-15-10-18-24(19-22)29-27(31)25(20-11-4-1-5-12-20)21-13-6-2-7-14-21/h1-2,4-7,10-15,18-19,23,25H,3,8-9,16-17H2,(H,28,30)(H,29,31).
What are the key properties of N-cyclohexyl-3-[(2,2-diphenylacetyl)amino]benzamide?
N-cyclohexyl-3-[(2,2-diphenylacetyl)amino]benzamide has a molecular weight of 412.53 g/mol, XLogP of 5.52, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[(2,2-diphenylacetyl)amino]benzamide is sourced from PubChem (CID 2239978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).