3-N-cyclohexyl-1-N-(4-propan-2-ylphenyl)benzene-1,3-dicarboxamide

C23H28N2O2 — CID 109052210

IUPAC3-N-cyclohexyl-1-N-(4-propan-2-ylphenyl)benzene-1,3-dicarboxamide
SMILESCC(C)c1ccc(NC(=O)c2cccc(C(=O)NC3CCCCC3)c2)cc1
InChIInChI=1S/C23H28N2O2/c1-16(2)17-11-13-21(14-12-17)25-23(27)19-8-6-7-18(15-19)22(26)24-20-9-4-3-5-10-20/h6-8,11-16,20H,3-5,9-10H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyIKDGWBLJHPYOHU-UHFFFAOYSA-N
MW364.49 g/mol
LogP5.12
Rot. Bonds5

About 3-N-cyclohexyl-1-N-(4-propan-2-ylphenyl)benzene-1,3-dicarboxamide

3-N-cyclohexyl-1-N-(4-propan-2-ylphenyl)benzene-1,3-dicarboxamide (PubChem CID 109052210) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 3-N-cyclohexyl-1-N-(4-propan-2-ylphenyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-cyclohexyl-1-N-(4-propan-2-ylphenyl)benzene-1,3-dicarboxamide
PubChem CID109052210
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name3-N-cyclohexyl-1-N-(4-propan-2-ylphenyl)benzene-1,3-dicarboxamide
SMILESCC(C)c1ccc(NC(=O)c2cccc(C(=O)NC3CCCCC3)c2)cc1
InChIInChI=1S/C23H28N2O2/c1-16(2)17-11-13-21(14-12-17)25-23(27)19-8-6-7-18(15-19)22(26)24-20-9-4-3-5-10-20/h6-8,11-16,20H,3-5,9-10H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyIKDGWBLJHPYOHU-UHFFFAOYSA-N
XLogP5.12
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.49
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-cyclohexyl-4-N-(4-propan-2-ylphenyl)benzene-1,4-dicarboxamide
CID 109044795
1-N-(4-chlorophenyl)-3-N-cycloheptylbenzene-1,3-dicarboxamide
CID 109056113
methyl 4-[[3-(cycloheptylcarbamoyl)benzoyl]amino]benzoate
CID 109056131
3-N-cyclohexyl-1-N-(3,4-dimethylphenyl)benzene-1,3-dicarboxamide
CID 109052202
4-N-cyclopentyl-2-N-(4-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
CID 109080780
1-N-cyclohexyl-3-N-propan-2-ylbenzene-1,3-dicarboxamide
CID 109050479
1-N-(3-acetylphenyl)-3-N-cyclopentylbenzene-1,3-dicarboxamide
CID 109051927
3-amino-N-[4-(cyclohexylcarbamoyl)phenyl]benzamide;hydrochloride
CID 119747179
3-[(3-chlorobenzoyl)amino]-N-cyclohexylbenzamide
CID 17170567
4-benzamido-N-cyclopentylbenzamide
CID 1262350
1-N,3-N,5-N-tris(4-propan-2-ylphenyl)benzene-1,3,5-tricarboxamide
CID 67992142
2-(cycloheptylamino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109263206

Frequently Asked Questions

What is the IUPAC name of 3-N-cyclohexyl-1-N-(4-propan-2-ylphenyl)benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-cyclohexyl-1-N-(4-propan-2-ylphenyl)benzene-1,3-dicarboxamide (CID 109052210) is 3-N-cyclohexyl-1-N-(4-propan-2-ylphenyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-cyclohexyl-1-N-(4-propan-2-ylphenyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-cyclohexyl-1-N-(4-propan-2-ylphenyl)benzene-1,3-dicarboxamide is CC(C)c1ccc(NC(=O)c2cccc(C(=O)NC3CCCCC3)c2)cc1.
What is the InChIKey of 3-N-cyclohexyl-1-N-(4-propan-2-ylphenyl)benzene-1,3-dicarboxamide?
The InChIKey is IKDGWBLJHPYOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-16(2)17-11-13-21(14-12-17)25-23(27)19-8-6-7-18(15-19)22(26)24-20-9-4-3-5-10-20/h6-8,11-16,20H,3-5,9-10H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of 3-N-cyclohexyl-1-N-(4-propan-2-ylphenyl)benzene-1,3-dicarboxamide?
3-N-cyclohexyl-1-N-(4-propan-2-ylphenyl)benzene-1,3-dicarboxamide has a molecular weight of 364.49 g/mol, XLogP of 5.12, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-cyclohexyl-1-N-(4-propan-2-ylphenyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 109052210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).