4-N-(3-acetylphenyl)-1-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide

C23H26N2O3 — CID 109150441

IUPAC4-N-(3-acetylphenyl)-1-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
SMILESCC(=O)c1cccc(NC(=O)C2CCC(C(=O)Nc3cccc(C)c3)CC2)c1
InChIInChI=1S/C23H26N2O3/c1-15-5-3-7-20(13-15)24-22(27)17-9-11-18(12-10-17)23(28)25-21-8-4-6-19(14-21)16(2)26/h3-8,13-14,17-18H,9-12H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyLZVNKMHADMHFCM-UHFFFAOYSA-N
MW378.47 g/mol
LogP4.58
Rot. Bonds5

About 4-N-(3-acetylphenyl)-1-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide

4-N-(3-acetylphenyl)-1-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide (PubChem CID 109150441) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is 4-N-(3-acetylphenyl)-1-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(3-acetylphenyl)-1-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
PubChem CID109150441
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name4-N-(3-acetylphenyl)-1-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
SMILESCC(=O)c1cccc(NC(=O)C2CCC(C(=O)Nc3cccc(C)c3)CC2)c1
InChIInChI=1S/C23H26N2O3/c1-15-5-3-7-20(13-15)24-22(27)17-9-11-18(12-10-17)23(28)25-21-8-4-6-19(14-21)16(2)26/h3-8,13-14,17-18H,9-12H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyLZVNKMHADMHFCM-UHFFFAOYSA-N
XLogP4.58
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(3,5-dimethylphenyl)-1-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150418
N-[4-(3-methylanilino)phenyl]cyclopropanecarboxamide
CID 112985938
N-(3-methylphenyl)-1,1-dioxothiane-4-carboxamide
CID 110856707
4-N-(3-methylphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144346
1-N-cyclohexyl-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109146142
1-N-(4-methoxyphenyl)-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150432
1-N,4-N-bis[3-(methylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17233453
N-(3-acetylphenyl)-4-butylcyclohexane-1-carboxamide
CID 19206974
N-(3-acetylphenyl)-1-propanoylpiperidine-4-carboxamide
CID 113007816
N-[(3-acetylphenyl)carbamothioyl]cyclopropanecarboxamide
CID 916714
1-N-(4-cyanophenyl)-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150457
3,3-difluoro-N-(3-methylphenyl)cyclobutane-1-carboxamide
CID 126781653

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-acetylphenyl)-1-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide?
The IUPAC name of 4-N-(3-acetylphenyl)-1-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide (CID 109150441) is 4-N-(3-acetylphenyl)-1-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(3-acetylphenyl)-1-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 4-N-(3-acetylphenyl)-1-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide is CC(=O)c1cccc(NC(=O)C2CCC(C(=O)Nc3cccc(C)c3)CC2)c1.
What is the InChIKey of 4-N-(3-acetylphenyl)-1-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide?
The InChIKey is LZVNKMHADMHFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-15-5-3-7-20(13-15)24-22(27)17-9-11-18(12-10-17)23(28)25-21-8-4-6-19(14-21)16(2)26/h3-8,13-14,17-18H,9-12H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of 4-N-(3-acetylphenyl)-1-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide?
4-N-(3-acetylphenyl)-1-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide has a molecular weight of 378.47 g/mol, XLogP of 4.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-acetylphenyl)-1-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109150441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).