N-[4-(4-acetylanilino)phenyl]cyclohexanecarboxamide

C21H24N2O2 — CID 112988197

IUPACN-[4-(4-acetylanilino)phenyl]cyclohexanecarboxamide
SMILESCC(=O)c1ccc(Nc2ccc(NC(=O)C3CCCCC3)cc2)cc1
InChIInChI=1S/C21H24N2O2/c1-15(24)16-7-9-18(10-8-16)22-19-11-13-20(14-12-19)23-21(25)17-5-3-2-4-6-17/h7-14,17,22H,2-6H2,1H3,(H,23,25)
InChIKeyVEDATTOBILVLLC-UHFFFAOYSA-N
MW336.44 g/mol
LogP5.15
Rot. Bonds5

About N-[4-(4-acetylanilino)phenyl]cyclohexanecarboxamide

N-[4-(4-acetylanilino)phenyl]cyclohexanecarboxamide (PubChem CID 112988197) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[4-(4-acetylanilino)phenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[4-(4-acetylanilino)phenyl]cyclohexanecarboxamide
PubChem CID112988197
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC NameN-[4-(4-acetylanilino)phenyl]cyclohexanecarboxamide
SMILESCC(=O)c1ccc(Nc2ccc(NC(=O)C3CCCCC3)cc2)cc1
InChIInChI=1S/C21H24N2O2/c1-15(24)16-7-9-18(10-8-16)22-19-11-13-20(14-12-19)23-21(25)17-5-3-2-4-6-17/h7-14,17,22H,2-6H2,1H3,(H,23,25)
InChIKeyVEDATTOBILVLLC-UHFFFAOYSA-N
XLogP5.15
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.44
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetylphenyl)cyclobutanecarboxamide
CID 877885
N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexanecarboxamide
CID 25276011
4-N-(4-acetylphenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide
CID 109150327
ethyl 4-[4-(cyclohexanecarbonylamino)anilino]benzoate
CID 112989355
N-[4-(4-methoxyanilino)phenyl]cyclohexanecarboxamide
CID 112987504
N-(4-acetylphenyl)-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145710
N-(4-acetylphenyl)-1-methylpiperidine-4-carboxamide
CID 59145520
N-[4-(2-bromo-2-methylpropanoyl)phenyl]cyclohexanecarboxamide
CID 82258980
N-(4-hydroxyphenyl)cycloheptanecarboxamide
CID 62589451
1-N,4-N-bis[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]benzene-1,4-dicarboxamide
CID 3422993
N-[4-(4-propan-2-ylanilino)phenyl]cyclobutanecarboxamide
CID 112986646
N-(4-bromophenyl)cyclohexanecarboxamide
CID 531820

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-acetylanilino)phenyl]cyclohexanecarboxamide?
The IUPAC name of N-[4-(4-acetylanilino)phenyl]cyclohexanecarboxamide (CID 112988197) is N-[4-(4-acetylanilino)phenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[4-(4-acetylanilino)phenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[4-(4-acetylanilino)phenyl]cyclohexanecarboxamide is CC(=O)c1ccc(Nc2ccc(NC(=O)C3CCCCC3)cc2)cc1.
What is the InChIKey of N-[4-(4-acetylanilino)phenyl]cyclohexanecarboxamide?
The InChIKey is VEDATTOBILVLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-15(24)16-7-9-18(10-8-16)22-19-11-13-20(14-12-19)23-21(25)17-5-3-2-4-6-17/h7-14,17,22H,2-6H2,1H3,(H,23,25).
What are the key properties of N-[4-(4-acetylanilino)phenyl]cyclohexanecarboxamide?
N-[4-(4-acetylanilino)phenyl]cyclohexanecarboxamide has a molecular weight of 336.44 g/mol, XLogP of 5.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-acetylanilino)phenyl]cyclohexanecarboxamide is sourced from PubChem (CID 112988197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).