N-(4-hydroxy-3-methylphenyl)-2,2-dimethylcyclohexane-1-carboxamide

C16H23NO2 — CID 107179808

IUPACN-(4-hydroxy-3-methylphenyl)-2,2-dimethylcyclohexane-1-carboxamide
SMILESCc1cc(NC(=O)C2CCCCC2(C)C)ccc1O
InChIInChI=1S/C16H23NO2/c1-11-10-12(7-8-14(11)18)17-15(19)13-6-4-5-9-16(13,2)3/h7-8,10,13,18H,4-6,9H2,1-3H3,(H,17,19)
InChIKeyPUGMWZOBNWGWEC-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.86
Rot. Bonds2

About N-(4-hydroxy-3-methylphenyl)-2,2-dimethylcyclohexane-1-carboxamide

N-(4-hydroxy-3-methylphenyl)-2,2-dimethylcyclohexane-1-carboxamide (PubChem CID 107179808) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-(4-hydroxy-3-methylphenyl)-2,2-dimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-3-methylphenyl)-2,2-dimethylcyclohexane-1-carboxamide
PubChem CID107179808
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC NameN-(4-hydroxy-3-methylphenyl)-2,2-dimethylcyclohexane-1-carboxamide
SMILESCc1cc(NC(=O)C2CCCCC2(C)C)ccc1O
InChIInChI=1S/C16H23NO2/c1-11-10-12(7-8-14(11)18)17-15(19)13-6-4-5-9-16(13,2)3/h7-8,10,13,18H,4-6,9H2,1-3H3,(H,17,19)
InChIKeyPUGMWZOBNWGWEC-UHFFFAOYSA-N
XLogP3.86
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-dimethylphenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 142139322
N-(3-amino-4-bromophenyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 107174941
N-[3-(1-hydroxyethyl)phenyl]-2,2-dimethylcyclohexane-1-carboxamide
CID 107180494
2,2-dimethyl-N-phenylcyclopentane-1-carboxamide
CID 103846294
N-(3-amino-4-ethylphenyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 107174844
N-[3-(ethylaminomethyl)phenyl]-2,2-dimethylcyclohexane-1-carboxamide
CID 107176079
N-(3,5-dichloro-4-hydroxyphenyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 104920538
5-[(2,2-dimethylcyclopentanecarbonyl)amino]-2,3-dimethylbenzoic acid
CID 107175434
N-(4-amino-2-methylphenyl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107174697
2,2-dimethyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)cyclohexane-1-carboxamide
CID 44591253
2-bromo-4-[(2,2-dimethylcyclopentanecarbonyl)amino]benzenesulfonyl chloride
CID 107176181
N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]-2,2-dimethylcyclopentane-1-carboxamide
CID 107181364

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-3-methylphenyl)-2,2-dimethylcyclohexane-1-carboxamide?
The IUPAC name of N-(4-hydroxy-3-methylphenyl)-2,2-dimethylcyclohexane-1-carboxamide (CID 107179808) is N-(4-hydroxy-3-methylphenyl)-2,2-dimethylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(4-hydroxy-3-methylphenyl)-2,2-dimethylcyclohexane-1-carboxamide?
The canonical SMILES for N-(4-hydroxy-3-methylphenyl)-2,2-dimethylcyclohexane-1-carboxamide is Cc1cc(NC(=O)C2CCCCC2(C)C)ccc1O.
What is the InChIKey of N-(4-hydroxy-3-methylphenyl)-2,2-dimethylcyclohexane-1-carboxamide?
The InChIKey is PUGMWZOBNWGWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-11-10-12(7-8-14(11)18)17-15(19)13-6-4-5-9-16(13,2)3/h7-8,10,13,18H,4-6,9H2,1-3H3,(H,17,19).
What are the key properties of N-(4-hydroxy-3-methylphenyl)-2,2-dimethylcyclohexane-1-carboxamide?
N-(4-hydroxy-3-methylphenyl)-2,2-dimethylcyclohexane-1-carboxamide has a molecular weight of 261.37 g/mol, XLogP of 3.86, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-3-methylphenyl)-2,2-dimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 107179808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).