N-[2-(N-[1-(cyclopentylcarbamoyl)cyclohexyl]-4-methylanilino)-2-oxoethyl]benzamide

C28H35N3O3 — CID 3596023

IUPACN-[2-(N-[1-(cyclopentylcarbamoyl)cyclohexyl]-4-methylanilino)-2-oxoethyl]benzamide
SMILESCc1ccc(N(C(=O)CNC(=O)c2ccccc2)C2(C(=O)NC3CCCC3)CCCCC2)cc1
InChIInChI=1S/C28H35N3O3/c1-21-14-16-24(17-15-21)31(25(32)20-29-26(33)22-10-4-2-5-11-22)28(18-8-3-9-19-28)27(34)30-23-12-6-7-13-23/h2,4-5,10-11,14-17,23H,3,6-9,12-13,18-20H2,1H3,(H,29,33)(H,30,34)
InChIKeyGRFDHROTVZKIAZ-UHFFFAOYSA-N
MW461.61 g/mol
LogP4.52
Rot. Bonds7

About N-[2-(N-[1-(cyclopentylcarbamoyl)cyclohexyl]-4-methylanilino)-2-oxoethyl]benzamide

N-[2-(N-[1-(cyclopentylcarbamoyl)cyclohexyl]-4-methylanilino)-2-oxoethyl]benzamide (PubChem CID 3596023) has the molecular formula C28H35N3O3 and a molecular weight of 461.61 g/mol. Its IUPAC name is N-[2-(N-[1-(cyclopentylcarbamoyl)cyclohexyl]-4-methylanilino)-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-(N-[1-(cyclopentylcarbamoyl)cyclohexyl]-4-methylanilino)-2-oxoethyl]benzamide
PubChem CID3596023
Molecular FormulaC28H35N3O3
Molecular Weight461.61 g/mol
Exact Mass461.27
IUPAC NameN-[2-(N-[1-(cyclopentylcarbamoyl)cyclohexyl]-4-methylanilino)-2-oxoethyl]benzamide
SMILESCc1ccc(N(C(=O)CNC(=O)c2ccccc2)C2(C(=O)NC3CCCC3)CCCCC2)cc1
InChIInChI=1S/C28H35N3O3/c1-21-14-16-24(17-15-21)31(25(32)20-29-26(33)22-10-4-2-5-11-22)28(18-8-3-9-19-28)27(34)30-23-12-6-7-13-23/h2,4-5,10-11,14-17,23H,3,6-9,12-13,18-20H2,1H3,(H,29,33)(H,30,34)
InChIKeyGRFDHROTVZKIAZ-UHFFFAOYSA-N
XLogP4.52
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.61
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(N-(2-acetamidoacetyl)anilino)-N-(4-methylphenyl)cyclohexane-1-carboxamide
CID 3995261
N-[2-[[1-(cyclopentylcarbamoyl)cyclohexyl]amino]-2-oxoethyl]benzamide
CID 3236722
1-[(2-acetamidoacetyl)-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-N-cyclopentylcyclohexane-1-carboxamide
CID 3237375
N-[2-(cyclopentylamino)-2-oxoethyl]-4-methylbenzamide
CID 1262280
N-cyclohexyl-5-methylcyclodeca-1,3,5,7,9-pentaene-1-carboxamide
CID 171081015
N-cyclopentyl-1-[N-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl]anilino]cyclohexane-1-carboxamide
CID 4044421
N-[1-(cyclopentylcarbamoyl)cyclohexyl]-5-oxo-N-phenylpyrrolidine-2-carboxamide
CID 4209204
N-cyclooctyl-4-methylbenzamide
CID 3995245
N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-4-methylanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 3211053
3-N-cyclohexyl-1-N-[(4-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109052147
N-[2-(cyclopentylamino)-2-oxoethyl]-4-phenylbenzamide
CID 18129640
1-N-cyclohexyl-3-N-ethyl-3-N-phenylbenzene-1,3-dicarboxamide
CID 109052208

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-[1-(cyclopentylcarbamoyl)cyclohexyl]-4-methylanilino)-2-oxoethyl]benzamide?
The IUPAC name of N-[2-(N-[1-(cyclopentylcarbamoyl)cyclohexyl]-4-methylanilino)-2-oxoethyl]benzamide (CID 3596023) is N-[2-(N-[1-(cyclopentylcarbamoyl)cyclohexyl]-4-methylanilino)-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-(N-[1-(cyclopentylcarbamoyl)cyclohexyl]-4-methylanilino)-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-(N-[1-(cyclopentylcarbamoyl)cyclohexyl]-4-methylanilino)-2-oxoethyl]benzamide is Cc1ccc(N(C(=O)CNC(=O)c2ccccc2)C2(C(=O)NC3CCCC3)CCCCC2)cc1.
What is the InChIKey of N-[2-(N-[1-(cyclopentylcarbamoyl)cyclohexyl]-4-methylanilino)-2-oxoethyl]benzamide?
The InChIKey is GRFDHROTVZKIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N3O3/c1-21-14-16-24(17-15-21)31(25(32)20-29-26(33)22-10-4-2-5-11-22)28(18-8-3-9-19-28)27(34)30-23-12-6-7-13-23/h2,4-5,10-11,14-17,23H,3,6-9,12-13,18-20H2,1H3,(H,29,33)(H,30,34).
What are the key properties of N-[2-(N-[1-(cyclopentylcarbamoyl)cyclohexyl]-4-methylanilino)-2-oxoethyl]benzamide?
N-[2-(N-[1-(cyclopentylcarbamoyl)cyclohexyl]-4-methylanilino)-2-oxoethyl]benzamide has a molecular weight of 461.61 g/mol, XLogP of 4.52, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-[1-(cyclopentylcarbamoyl)cyclohexyl]-4-methylanilino)-2-oxoethyl]benzamide is sourced from PubChem (CID 3596023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).