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

C23H28N2O2 — CID 109044795

IUPAC1-N-cyclohexyl-4-N-(4-propan-2-ylphenyl)benzene-1,4-dicarboxamide
SMILESCC(C)c1ccc(NC(=O)c2ccc(C(=O)NC3CCCCC3)cc2)cc1
InChIInChI=1S/C23H28N2O2/c1-16(2)17-12-14-21(15-13-17)25-23(27)19-10-8-18(9-11-19)22(26)24-20-6-4-3-5-7-20/h8-16,20H,3-7H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyXMBAEPIJXPRHJX-UHFFFAOYSA-N
MW364.49 g/mol
LogP5.12
Rot. Bonds5

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

1-N-cyclohexyl-4-N-(4-propan-2-ylphenyl)benzene-1,4-dicarboxamide (PubChem CID 109044795) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 1-N-cyclohexyl-4-N-(4-propan-2-ylphenyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-cyclohexyl-4-N-(4-propan-2-ylphenyl)benzene-1,4-dicarboxamide
PubChem CID109044795
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name1-N-cyclohexyl-4-N-(4-propan-2-ylphenyl)benzene-1,4-dicarboxamide
SMILESCC(C)c1ccc(NC(=O)c2ccc(C(=O)NC3CCCCC3)cc2)cc1
InChIInChI=1S/C23H28N2O2/c1-16(2)17-12-14-21(15-13-17)25-23(27)19-10-8-18(9-11-19)22(26)24-20-6-4-3-5-7-20/h8-16,20H,3-7H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyXMBAEPIJXPRHJX-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

3-N-cyclohexyl-1-N-(4-propan-2-ylphenyl)benzene-1,3-dicarboxamide
CID 109052210
4-propan-2-yl-N-[4-[(4-propan-2-ylbenzoyl)amino]cyclohexyl]benzamide
CID 1001424
N-cyclooctyl-4-(2-methylpropanoylamino)benzamide
CID 3901295
4-N-(4-chlorophenyl)-1-N-cyclopentylbenzene-1,4-dicarboxamide
CID 109044491
4-acetamido-N-cyclooctylbenzamide
CID 2990044
4-propan-2-yl-N-(4-propan-2-ylphenyl)benzamide
CID 1406437
4-N-cyclopentyl-2-N-(4-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
CID 109080780
4-benzamido-N-cyclopentylbenzamide
CID 1262350
2-(cycloheptylamino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109263206
4-(cyclopropanecarbonylamino)-N-(4-propan-2-ylphenyl)benzamide
CID 26288890
N-[4-(2-cyclohexylethoxy)phenyl]-4-propan-2-ylbenzamide
CID 17177481
N-cycloheptyl-4-(methylamino)benzamide
CID 62165627

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclohexyl-4-N-(4-propan-2-ylphenyl)benzene-1,4-dicarboxamide?
The IUPAC name of 1-N-cyclohexyl-4-N-(4-propan-2-ylphenyl)benzene-1,4-dicarboxamide (CID 109044795) is 1-N-cyclohexyl-4-N-(4-propan-2-ylphenyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-cyclohexyl-4-N-(4-propan-2-ylphenyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-cyclohexyl-4-N-(4-propan-2-ylphenyl)benzene-1,4-dicarboxamide is CC(C)c1ccc(NC(=O)c2ccc(C(=O)NC3CCCCC3)cc2)cc1.
What is the InChIKey of 1-N-cyclohexyl-4-N-(4-propan-2-ylphenyl)benzene-1,4-dicarboxamide?
The InChIKey is XMBAEPIJXPRHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-16(2)17-12-14-21(15-13-17)25-23(27)19-10-8-18(9-11-19)22(26)24-20-6-4-3-5-7-20/h8-16,20H,3-7H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of 1-N-cyclohexyl-4-N-(4-propan-2-ylphenyl)benzene-1,4-dicarboxamide?
1-N-cyclohexyl-4-N-(4-propan-2-ylphenyl)benzene-1,4-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 1-N-cyclohexyl-4-N-(4-propan-2-ylphenyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 109044795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).