N-[2-[4-(hydroxymethyl)phenyl]ethyl]-3,5-dimethylcyclohexane-1-carboxamide

C18H27NO2 — CID 110022034

IUPACN-[2-[4-(hydroxymethyl)phenyl]ethyl]-3,5-dimethylcyclohexane-1-carboxamide
SMILESCC1CC(C)CC(C(=O)NCCc2ccc(CO)cc2)C1
InChIInChI=1S/C18H27NO2/c1-13-9-14(2)11-17(10-13)18(21)19-8-7-15-3-5-16(12-20)6-4-15/h3-6,13-14,17,20H,7-12H2,1-2H3,(H,19,21)
InChIKeyCLFFBGVKFRGWLK-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.91
Rot. Bonds5

About N-[2-[4-(hydroxymethyl)phenyl]ethyl]-3,5-dimethylcyclohexane-1-carboxamide

N-[2-[4-(hydroxymethyl)phenyl]ethyl]-3,5-dimethylcyclohexane-1-carboxamide (PubChem CID 110022034) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[2-[4-(hydroxymethyl)phenyl]ethyl]-3,5-dimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(hydroxymethyl)phenyl]ethyl]-3,5-dimethylcyclohexane-1-carboxamide
PubChem CID110022034
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC NameN-[2-[4-(hydroxymethyl)phenyl]ethyl]-3,5-dimethylcyclohexane-1-carboxamide
SMILESCC1CC(C)CC(C(=O)NCCc2ccc(CO)cc2)C1
InChIInChI=1S/C18H27NO2/c1-13-9-14(2)11-17(10-13)18(21)19-8-7-15-3-5-16(12-20)6-4-15/h3-6,13-14,17,20H,7-12H2,1-2H3,(H,19,21)
InChIKeyCLFFBGVKFRGWLK-UHFFFAOYSA-N
XLogP2.91
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-hydroxyethyl)-3-methylcyclobutane-1-carboxamide
CID 131134003
N-[2-(4-hydroxyphenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 47292025
1-N,4-N-bis[2-(4-chlorophenyl)ethyl]cyclohexane-1,4-dicarboxamide
CID 26644708
(2S,4S)-N-[2-(4-fluorophenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120616696
3-amino-N-[2-(4-ethylphenyl)ethyl]cyclopentane-1-carboxamide
CID 119760925
(1S,3R,4R)-3-amino-N-[2-(4-fluorophenyl)ethyl]-4-hydroxycyclopentane-1-carboxamide
CID 155494382
N-[2-(4-methylsulfonylphenyl)ethyl]cyclopropanecarboxamide
CID 110790600
4-[2-(4-ethylphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673281
2-[2-(4-fluorophenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 60792833
3-[2-(4-fluorophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63790115
N-[2-(4-hydroxyphenyl)ethyl]cyclooctanecarboxamide
CID 65023099
N-[2-(4-methylphenyl)ethyl]piperidine-4-carboxamide
CID 82130753

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(hydroxymethyl)phenyl]ethyl]-3,5-dimethylcyclohexane-1-carboxamide?
The IUPAC name of N-[2-[4-(hydroxymethyl)phenyl]ethyl]-3,5-dimethylcyclohexane-1-carboxamide (CID 110022034) is N-[2-[4-(hydroxymethyl)phenyl]ethyl]-3,5-dimethylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[2-[4-(hydroxymethyl)phenyl]ethyl]-3,5-dimethylcyclohexane-1-carboxamide?
The canonical SMILES for N-[2-[4-(hydroxymethyl)phenyl]ethyl]-3,5-dimethylcyclohexane-1-carboxamide is CC1CC(C)CC(C(=O)NCCc2ccc(CO)cc2)C1.
What is the InChIKey of N-[2-[4-(hydroxymethyl)phenyl]ethyl]-3,5-dimethylcyclohexane-1-carboxamide?
The InChIKey is CLFFBGVKFRGWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-13-9-14(2)11-17(10-13)18(21)19-8-7-15-3-5-16(12-20)6-4-15/h3-6,13-14,17,20H,7-12H2,1-2H3,(H,19,21).
What are the key properties of N-[2-[4-(hydroxymethyl)phenyl]ethyl]-3,5-dimethylcyclohexane-1-carboxamide?
N-[2-[4-(hydroxymethyl)phenyl]ethyl]-3,5-dimethylcyclohexane-1-carboxamide has a molecular weight of 289.42 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(hydroxymethyl)phenyl]ethyl]-3,5-dimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 110022034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).