N-(3-hydroxy-3-phenylpropyl)-4-methylcyclohexane-1-carboxamide

C17H25NO2 — CID 111471611

IUPACN-(3-hydroxy-3-phenylpropyl)-4-methylcyclohexane-1-carboxamide
SMILESCC1CCC(C(=O)NCCC(O)c2ccccc2)CC1
InChIInChI=1S/C17H25NO2/c1-13-7-9-15(10-8-13)17(20)18-12-11-16(19)14-5-3-2-4-6-14/h2-6,13,15-16,19H,7-12H2,1H3,(H,18,20)
InChIKeyUQIZQNNTZUAEOA-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.05
Rot. Bonds5

About N-(3-hydroxy-3-phenylpropyl)-4-methylcyclohexane-1-carboxamide

N-(3-hydroxy-3-phenylpropyl)-4-methylcyclohexane-1-carboxamide (PubChem CID 111471611) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is N-(3-hydroxy-3-phenylpropyl)-4-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-3-phenylpropyl)-4-methylcyclohexane-1-carboxamide
PubChem CID111471611
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC NameN-(3-hydroxy-3-phenylpropyl)-4-methylcyclohexane-1-carboxamide
SMILESCC1CCC(C(=O)NCCC(O)c2ccccc2)CC1
InChIInChI=1S/C17H25NO2/c1-13-7-9-15(10-8-13)17(20)18-12-11-16(19)14-5-3-2-4-6-14/h2-6,13,15-16,19H,7-12H2,1H3,(H,18,20)
InChIKeyUQIZQNNTZUAEOA-UHFFFAOYSA-N
XLogP3.05
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2-dimethylpropanoyl)-N-(3-hydroxy-3-phenylpropyl)piperidine-4-carboxamide
CID 111471638
N-(3-amino-3-phenylpropyl)cyclopropanecarboxamide
CID 80506627
N-(3-hydroxy-3-phenylpropyl)-2-phenylcyclopropane-1-carboxamide
CID 111471582
N-[(3S)-5-hydroxy-3-phenylpentyl]cyclopropanecarboxamide
CID 99872804
N-(3-hydroxy-3-phenylpropyl)acetamide
CID 67579721
1-(2,2-dimethylpropanoyl)-N-(3-hydroxy-3-phenylpropyl)piperidine-3-carboxamide
CID 111471679
N-(3-hydroxy-3-phenylpropyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 90499575
N-(3-hydroxy-3-naphthalen-1-ylpropyl)cyclopropanecarboxamide
CID 71787907
4-(aminomethyl)-N-(3-phenylbutyl)cyclohexane-1-carboxamide
CID 79519273
N-[(3S)-3-(3-chlorophenyl)-3-hydroxypropyl]cyclopentanecarboxamide
CID 100695751
N-[(2S)-2-hydroxy-2-phenylethyl]cyclopentanecarboxamide
CID 93032915
N-[2-(2-phenylbutanoylamino)ethyl]cyclopropanecarboxamide
CID 47111718

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-3-phenylpropyl)-4-methylcyclohexane-1-carboxamide?
The IUPAC name of N-(3-hydroxy-3-phenylpropyl)-4-methylcyclohexane-1-carboxamide (CID 111471611) is N-(3-hydroxy-3-phenylpropyl)-4-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(3-hydroxy-3-phenylpropyl)-4-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-(3-hydroxy-3-phenylpropyl)-4-methylcyclohexane-1-carboxamide is CC1CCC(C(=O)NCCC(O)c2ccccc2)CC1.
What is the InChIKey of N-(3-hydroxy-3-phenylpropyl)-4-methylcyclohexane-1-carboxamide?
The InChIKey is UQIZQNNTZUAEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-13-7-9-15(10-8-13)17(20)18-12-11-16(19)14-5-3-2-4-6-14/h2-6,13,15-16,19H,7-12H2,1H3,(H,18,20).
What are the key properties of N-(3-hydroxy-3-phenylpropyl)-4-methylcyclohexane-1-carboxamide?
N-(3-hydroxy-3-phenylpropyl)-4-methylcyclohexane-1-carboxamide has a molecular weight of 275.39 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-3-phenylpropyl)-4-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 111471611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).