N-(3-acetylphenyl)-4-butylcyclohexane-1-carboxamide

C19H27NO2 — CID 19206974

IUPACN-(3-acetylphenyl)-4-butylcyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)Nc2cccc(C(C)=O)c2)CC1
InChIInChI=1S/C19H27NO2/c1-3-4-6-15-9-11-16(12-10-15)19(22)20-18-8-5-7-17(13-18)14(2)21/h5,7-8,13,15-16H,3-4,6,9-12H2,1-2H3,(H,20,22)
InChIKeyHJMQZPZGSMLARV-UHFFFAOYSA-N
MW301.43 g/mol
LogP4.82
Rot. Bonds6

About N-(3-acetylphenyl)-4-butylcyclohexane-1-carboxamide

N-(3-acetylphenyl)-4-butylcyclohexane-1-carboxamide (PubChem CID 19206974) has the molecular formula C19H27NO2 and a molecular weight of 301.43 g/mol. Its IUPAC name is N-(3-acetylphenyl)-4-butylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-4-butylcyclohexane-1-carboxamide
PubChem CID19206974
Molecular FormulaC19H27NO2
Molecular Weight301.43 g/mol
Exact Mass301.20
IUPAC NameN-(3-acetylphenyl)-4-butylcyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)Nc2cccc(C(C)=O)c2)CC1
InChIInChI=1S/C19H27NO2/c1-3-4-6-15-9-11-16(12-10-15)19(22)20-18-8-5-7-17(13-18)14(2)21/h5,7-8,13,15-16H,3-4,6,9-12H2,1-2H3,(H,20,22)
InChIKeyHJMQZPZGSMLARV-UHFFFAOYSA-N
XLogP4.82
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-butylcyclohexanecarbonyl)amino]benzamide
CID 8884677
4-N-(3-acetylphenyl)-1-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150441
N-(3-acetylphenyl)-1-propanoylpiperidine-4-carboxamide
CID 113007816
N-(3-acetylphenyl)-1-butylsulfonylpiperidine-4-carboxamide
CID 113007849
4-butyl-N-[4-(hydroxymethyl)phenyl]cyclohexane-1-carboxamide
CID 64792837
methyl 3-[[4-(butylcarbamoyl)cyclohexanecarbonyl]amino]benzoate
CID 109145173
4-butyl-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 19206890
4-butyl-N-[4-(dimethylamino)phenyl]cyclohexane-1-carboxamide
CID 19206977
3-(cyclopropanecarbonylamino)-N-(4-pentylphenyl)benzamide
CID 34030665
1-N,4-N-bis[3-(diethylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17195088
4-N-(3-acetamidophenyl)-1-N-pentylcyclohexane-1,4-dicarboxamide
CID 109149868
3-(cyclopropanecarbonylamino)-N-(2-methylbutan-2-yl)benzamide
CID 51144044

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-4-butylcyclohexane-1-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-4-butylcyclohexane-1-carboxamide (CID 19206974) is N-(3-acetylphenyl)-4-butylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-4-butylcyclohexane-1-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-4-butylcyclohexane-1-carboxamide is CCCCC1CCC(C(=O)Nc2cccc(C(C)=O)c2)CC1.
What is the InChIKey of N-(3-acetylphenyl)-4-butylcyclohexane-1-carboxamide?
The InChIKey is HJMQZPZGSMLARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO2/c1-3-4-6-15-9-11-16(12-10-15)19(22)20-18-8-5-7-17(13-18)14(2)21/h5,7-8,13,15-16H,3-4,6,9-12H2,1-2H3,(H,20,22).
What are the key properties of N-(3-acetylphenyl)-4-butylcyclohexane-1-carboxamide?
N-(3-acetylphenyl)-4-butylcyclohexane-1-carboxamide has a molecular weight of 301.43 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-4-butylcyclohexane-1-carboxamide is sourced from PubChem (CID 19206974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).