N-[3-(1-hydroxyethyl)phenyl]-2,2-dimethylcyclohexane-1-carboxamide

C17H25NO2 — CID 107180494

IUPACN-[3-(1-hydroxyethyl)phenyl]-2,2-dimethylcyclohexane-1-carboxamide
SMILESCC(O)c1cccc(NC(=O)C2CCCCC2(C)C)c1
InChIInChI=1S/C17H25NO2/c1-12(19)13-7-6-8-14(11-13)18-16(20)15-9-4-5-10-17(15,2)3/h6-8,11-12,15,19H,4-5,9-10H2,1-3H3,(H,18,20)
InChIKeyPZABPYHFQZKFFW-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.89
Rot. Bonds3

About N-[3-(1-hydroxyethyl)phenyl]-2,2-dimethylcyclohexane-1-carboxamide

N-[3-(1-hydroxyethyl)phenyl]-2,2-dimethylcyclohexane-1-carboxamide (PubChem CID 107180494) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is N-[3-(1-hydroxyethyl)phenyl]-2,2-dimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[3-(1-hydroxyethyl)phenyl]-2,2-dimethylcyclohexane-1-carboxamide
PubChem CID107180494
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC NameN-[3-(1-hydroxyethyl)phenyl]-2,2-dimethylcyclohexane-1-carboxamide
SMILESCC(O)c1cccc(NC(=O)C2CCCCC2(C)C)c1
InChIInChI=1S/C17H25NO2/c1-12(19)13-7-6-8-14(11-13)18-16(20)15-9-4-5-10-17(15,2)3/h6-8,11-12,15,19H,4-5,9-10H2,1-3H3,(H,18,20)
InChIKeyPZABPYHFQZKFFW-UHFFFAOYSA-N
XLogP3.89
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(1-hydroxyethyl)phenyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 107002185
N-[3-(ethylaminomethyl)phenyl]-2,2-dimethylcyclohexane-1-carboxamide
CID 107176079
2,2-dimethyl-N-phenylcyclopentane-1-carboxamide
CID 103846294
N-[3-(3-chloropropyl)phenyl]-2,2-dimethylcyclopentane-1-carboxamide
CID 107184297
(2S)-2-[(2,2-dimethylcyclohexanecarbonyl)amino]-2-phenylacetic acid
CID 107175933
N-[2-(1-aminoethyl)phenyl]-2,2-dimethylcyclohexane-1-carboxamide
CID 107176027
N-(3,5-dichloro-4-hydroxyphenyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 104920538
N-[3-(1-aminoethyl)phenyl]cyclohexanecarboxamide
CID 16796065
N-[3-(1-aminoethyl)phenyl]cyclopentanecarboxamide
CID 16787772
N-(3-amino-4-bromophenyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 107174941
N-(3-amino-4-ethylphenyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 107174844
N-(6-chloro-2-pyridinyl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107186552

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-hydroxyethyl)phenyl]-2,2-dimethylcyclohexane-1-carboxamide?
The IUPAC name of N-[3-(1-hydroxyethyl)phenyl]-2,2-dimethylcyclohexane-1-carboxamide (CID 107180494) is N-[3-(1-hydroxyethyl)phenyl]-2,2-dimethylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[3-(1-hydroxyethyl)phenyl]-2,2-dimethylcyclohexane-1-carboxamide?
The canonical SMILES for N-[3-(1-hydroxyethyl)phenyl]-2,2-dimethylcyclohexane-1-carboxamide is CC(O)c1cccc(NC(=O)C2CCCCC2(C)C)c1.
What is the InChIKey of N-[3-(1-hydroxyethyl)phenyl]-2,2-dimethylcyclohexane-1-carboxamide?
The InChIKey is PZABPYHFQZKFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-12(19)13-7-6-8-14(11-13)18-16(20)15-9-4-5-10-17(15,2)3/h6-8,11-12,15,19H,4-5,9-10H2,1-3H3,(H,18,20).
What are the key properties of N-[3-(1-hydroxyethyl)phenyl]-2,2-dimethylcyclohexane-1-carboxamide?
N-[3-(1-hydroxyethyl)phenyl]-2,2-dimethylcyclohexane-1-carboxamide has a molecular weight of 275.39 g/mol, XLogP of 3.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-hydroxyethyl)phenyl]-2,2-dimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 107180494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).