N-(4-acetylphenyl)-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide

C20H26N2O3 — CID 109145710

IUPACN-(4-acetylphenyl)-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
SMILESCC(=O)c1ccc(NC(=O)C2CCC(C(=O)N3CCCC3)CC2)cc1
InChIInChI=1S/C20H26N2O3/c1-14(23)15-8-10-18(11-9-15)21-19(24)16-4-6-17(7-5-16)20(25)22-12-2-3-13-22/h8-11,16-17H,2-7,12-13H2,1H3,(H,21,24)
InChIKeyUJLDBZFEGSVWQN-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.26
Rot. Bonds4

About N-(4-acetylphenyl)-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide

N-(4-acetylphenyl)-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide (PubChem CID 109145710) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-(4-acetylphenyl)-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
PubChem CID109145710
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC NameN-(4-acetylphenyl)-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
SMILESCC(=O)c1ccc(NC(=O)C2CCC(C(=O)N3CCCC3)CC2)cc1
InChIInChI=1S/C20H26N2O3/c1-14(23)15-8-10-18(11-9-15)21-19(24)16-4-6-17(7-5-16)20(25)22-12-2-3-13-22/h8-11,16-17H,2-7,12-13H2,1H3,(H,21,24)
InChIKeyUJLDBZFEGSVWQN-UHFFFAOYSA-N
XLogP3.26
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[[4-(azepane-1-carbonyl)cyclohexanecarbonyl]amino]benzoate
CID 109150256
methyl 4-[[4-(piperidine-1-carbonyl)cyclohexanecarbonyl]amino]benzoate
CID 109146046
N-(4-acetylphenyl)cyclobutanecarboxamide
CID 877885
N-(4-acetylphenyl)-1-methylpiperidine-4-carboxamide
CID 59145520
4-N-(4-acetylphenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide
CID 109150327
N-(4-methoxyphenyl)-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145697
4-(azepane-1-carbonyl)-N-[4-(dimethylamino)phenyl]cyclohexane-1-carboxamide
CID 109150257
N-[4-(4-acetyl-1,4-diazepane-1-carbonyl)phenyl]cyclopropanecarboxamide
CID 134061665
N-[4-(4-acetylanilino)phenyl]cyclohexanecarboxamide
CID 112988197
N-[4-[4-(cyclopropanecarbonyl)-1,4-diazepane-1-carbonyl]phenyl]acetamide
CID 110806427
N-(4-acetylphenyl)-1-(4-methylbenzoyl)piperidine-4-carboxamide
CID 113007858
4-(4-acetylpiperazine-1-carbonyl)-N-phenylcyclohexane-1-carboxamide
CID 109147706

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide (CID 109145710) is N-(4-acetylphenyl)-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide is CC(=O)c1ccc(NC(=O)C2CCC(C(=O)N3CCCC3)CC2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide?
The InChIKey is UJLDBZFEGSVWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-14(23)15-8-10-18(11-9-15)21-19(24)16-4-6-17(7-5-16)20(25)22-12-2-3-13-22/h8-11,16-17H,2-7,12-13H2,1H3,(H,21,24).
What are the key properties of N-(4-acetylphenyl)-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide?
N-(4-acetylphenyl)-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 109145710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).