4-N-(4-acetylphenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide

C22H24N2O3 — CID 109150327

IUPAC4-N-(4-acetylphenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide
SMILESCC(=O)c1ccc(NC(=O)C2CCC(C(=O)Nc3ccccc3)CC2)cc1
InChIInChI=1S/C22H24N2O3/c1-15(25)16-11-13-20(14-12-16)24-22(27)18-9-7-17(8-10-18)21(26)23-19-5-3-2-4-6-19/h2-6,11-14,17-18H,7-10H2,1H3,(H,23,26)(H,24,27)
InChIKeyGCYLRWAEJKEIDE-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.27
Rot. Bonds5

About 4-N-(4-acetylphenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide

4-N-(4-acetylphenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide (PubChem CID 109150327) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is 4-N-(4-acetylphenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(4-acetylphenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide
PubChem CID109150327
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name4-N-(4-acetylphenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide
SMILESCC(=O)c1ccc(NC(=O)C2CCC(C(=O)Nc3ccccc3)CC2)cc1
InChIInChI=1S/C22H24N2O3/c1-15(25)16-11-13-20(14-12-16)24-22(27)18-9-7-17(8-10-18)21(26)23-19-5-3-2-4-6-19/h2-6,11-14,17-18H,7-10H2,1H3,(H,23,26)(H,24,27)
InChIKeyGCYLRWAEJKEIDE-UHFFFAOYSA-N
XLogP4.27
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetylphenyl)cyclobutanecarboxamide
CID 877885
N-(4-acetylphenyl)-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145710
N-(4-acetylphenyl)-1-methylpiperidine-4-carboxamide
CID 59145520
N-[4-(4-acetylanilino)phenyl]cyclohexanecarboxamide
CID 112988197
4-N-(4-fluorophenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide
CID 109150302
1-N-(4-acetylphenyl)-4-N,4-N-diethylcyclohexane-1,4-dicarboxamide
CID 109149468
N-(4-anilinophenyl)-4-methylcyclohexane-1-carboxamide
CID 110178754
N-(2-acetylphenyl)-4-(cyclopropanecarbonylamino)benzamide
CID 112760957
4-(4-acetylpiperazine-1-carbonyl)-N-phenylcyclohexane-1-carboxamide
CID 109147706
N-[4-[[(4-phenylbenzoyl)amino]carbamoyl]phenyl]cyclopropanecarboxamide
CID 4507519
N-[3-[1-(4-acetylanilino)-1-oxopropan-2-yl]sulfanylphenyl]cyclopropanecarboxamide
CID 18901250
N-(4-acetylphenyl)-4-(tert-butylsulfonylamino)cyclohexane-1-carboxamide
CID 20630370

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-acetylphenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide?
The IUPAC name of 4-N-(4-acetylphenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide (CID 109150327) is 4-N-(4-acetylphenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(4-acetylphenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide?
The canonical SMILES for 4-N-(4-acetylphenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide is CC(=O)c1ccc(NC(=O)C2CCC(C(=O)Nc3ccccc3)CC2)cc1.
What is the InChIKey of 4-N-(4-acetylphenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide?
The InChIKey is GCYLRWAEJKEIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-15(25)16-11-13-20(14-12-16)24-22(27)18-9-7-17(8-10-18)21(26)23-19-5-3-2-4-6-19/h2-6,11-14,17-18H,7-10H2,1H3,(H,23,26)(H,24,27).
What are the key properties of 4-N-(4-acetylphenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide?
4-N-(4-acetylphenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide has a molecular weight of 364.45 g/mol, XLogP of 4.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-acetylphenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109150327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).