4-acetamido-N-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]-N-(4-methoxyphenyl)benzamide

C31H35N3O4 — CID 56696062

IUPAC4-acetamido-N-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]-N-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(N(C(=O)c2ccc(NC(C)=O)cc2)C2(C(=O)Nc3c(C)cccc3C)CCCCC2)cc1
InChIInChI=1S/C31H35N3O4/c1-21-9-8-10-22(2)28(21)33-30(37)31(19-6-5-7-20-31)34(26-15-17-27(38-4)18-16-26)29(36)24-11-13-25(14-12-24)32-23(3)35/h8-18H,5-7,19-20H2,1-4H3,(H,32,35)(H,33,37)
InChIKeyRJYAGEZSJFTMQP-UHFFFAOYSA-N
MW513.64 g/mol
LogP6.26
Rot. Bonds7

About 4-acetamido-N-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]-N-(4-methoxyphenyl)benzamide

4-acetamido-N-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]-N-(4-methoxyphenyl)benzamide (PubChem CID 56696062) has the molecular formula C31H35N3O4 and a molecular weight of 513.64 g/mol. Its IUPAC name is 4-acetamido-N-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]-N-(4-methoxyphenyl)benzamide.

Molecular Properties

Compound Name4-acetamido-N-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]-N-(4-methoxyphenyl)benzamide
PubChem CID56696062
Molecular FormulaC31H35N3O4
Molecular Weight513.64 g/mol
Exact Mass513.26
IUPAC Name4-acetamido-N-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]-N-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(N(C(=O)c2ccc(NC(C)=O)cc2)C2(C(=O)Nc3c(C)cccc3C)CCCCC2)cc1
InChIInChI=1S/C31H35N3O4/c1-21-9-8-10-22(2)28(21)33-30(37)31(19-6-5-7-20-31)34(26-15-17-27(38-4)18-16-26)29(36)24-11-13-25(14-12-24)32-23(3)35/h8-18H,5-7,19-20H2,1-4H3,(H,32,35)(H,33,37)
InChIKeyRJYAGEZSJFTMQP-UHFFFAOYSA-N
XLogP6.26
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.64
LogP ≤ 56.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(N-(2-acetamidoacetyl)anilino)-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 5222480
1-(N-[2-(5-aminotetrazol-1-yl)acetyl]-4-methoxyanilino)-N-(2,6-dimethylphenyl)cyclohexane-1-carboxamide
CID 3937256
N-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]-N-(4-methylphenyl)pyridine-2-carboxamide
CID 1078846
1-[acetyl(methyl)amino]-N-(2,6-dimethylphenyl)cyclohexane-1-carboxamide
CID 830885
(2S)-N-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]-N-(4-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 92962240
1-(N-(2-acetamidoacetyl)anilino)-N-(4-methylphenyl)cyclohexane-1-carboxamide
CID 3995261
1-(4-acetamido-N-[2-(5-aminotetrazol-1-yl)acetyl]anilino)-N-(2-methylphenyl)cyclohexane-1-carboxamide
CID 1045912
N-(4-methoxyphenyl)-2-methyloxirane-2-carboxamide
CID 87336938
1-N'-(2,6-dimethylphenyl)-1-N-(3-methoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108981560
2-(4-acetamidophenoxy)-N-(2,6-dimethylphenyl)acetamide
CID 896754
1-N-(4-methoxyphenyl)-3-N-(2,4,6-trimethylphenyl)benzene-1,3-dicarboxamide
CID 109057390
N-(2,6-dimethylphenyl)-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 1260716

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]-N-(4-methoxyphenyl)benzamide?
The IUPAC name of 4-acetamido-N-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]-N-(4-methoxyphenyl)benzamide (CID 56696062) is 4-acetamido-N-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]-N-(4-methoxyphenyl)benzamide.
What is the SMILES notation for 4-acetamido-N-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]-N-(4-methoxyphenyl)benzamide?
The canonical SMILES for 4-acetamido-N-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]-N-(4-methoxyphenyl)benzamide is COc1ccc(N(C(=O)c2ccc(NC(C)=O)cc2)C2(C(=O)Nc3c(C)cccc3C)CCCCC2)cc1.
What is the InChIKey of 4-acetamido-N-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]-N-(4-methoxyphenyl)benzamide?
The InChIKey is RJYAGEZSJFTMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N3O4/c1-21-9-8-10-22(2)28(21)33-30(37)31(19-6-5-7-20-31)34(26-15-17-27(38-4)18-16-26)29(36)24-11-13-25(14-12-24)32-23(3)35/h8-18H,5-7,19-20H2,1-4H3,(H,32,35)(H,33,37).
What are the key properties of 4-acetamido-N-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]-N-(4-methoxyphenyl)benzamide?
4-acetamido-N-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]-N-(4-methoxyphenyl)benzamide has a molecular weight of 513.64 g/mol, XLogP of 6.26, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]-N-(4-methoxyphenyl)benzamide is sourced from PubChem (CID 56696062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).