N-(2-hydroxypropyl)-N,2,2-trimethylcyclohexane-1-carboxamide

C13H25NO2 — CID 107180341

IUPACN-(2-hydroxypropyl)-N,2,2-trimethylcyclohexane-1-carboxamide
SMILESCC(O)CN(C)C(=O)C1CCCCC1(C)C
InChIInChI=1S/C13H25NO2/c1-10(15)9-14(4)12(16)11-7-5-6-8-13(11,2)3/h10-11,15H,5-9H2,1-4H3
InChIKeyBTJBCUOZUKSSQV-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.04
Rot. Bonds3

About N-(2-hydroxypropyl)-N,2,2-trimethylcyclohexane-1-carboxamide

N-(2-hydroxypropyl)-N,2,2-trimethylcyclohexane-1-carboxamide (PubChem CID 107180341) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is N-(2-hydroxypropyl)-N,2,2-trimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)-N,2,2-trimethylcyclohexane-1-carboxamide
PubChem CID107180341
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC NameN-(2-hydroxypropyl)-N,2,2-trimethylcyclohexane-1-carboxamide
SMILESCC(O)CN(C)C(=O)C1CCCCC1(C)C
InChIInChI=1S/C13H25NO2/c1-10(15)9-14(4)12(16)11-7-5-6-8-13(11,2)3/h10-11,15H,5-9H2,1-4H3
InChIKeyBTJBCUOZUKSSQV-UHFFFAOYSA-N
XLogP2.04
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-hydroxypropyl)-N,2,2-trimethylcyclopentane-1-carboxamide
CID 104918373
N-(2-hydroxy-3-methoxypropyl)-N,2,2-trimethylcyclohexane-1-carboxamide
CID 107180334
N-(3-hydroxybutyl)-N,2,2-trimethylcyclopentane-1-carboxamide
CID 104919962
N,N,2,2-tetramethylcyclohexane-1-carboxamide
CID 107180263
methyl 3-[(2,2-dimethylcyclopentanecarbonyl)-methylamino]-2-methylpropanoate
CID 104919723
N-(3-bromopropyl)-N,2,2-trimethylcyclohexane-1-carboxamide
CID 106441463
N,2,2-trimethyl-N-[3-(methylamino)propyl]cyclohexane-1-carboxamide
CID 107176010
methyl 3-[(2,2-dimethylcyclohexanecarbonyl)-methylamino]propanoate
CID 107181232
N-(3-aminopropyl)-N,2,2-trimethylcyclopentane-1-carboxamide
CID 107174465
N,2,2-trimethyl-N-(2-piperidin-4-ylethyl)cyclohexane-1-carboxamide
CID 107176802
N-(3-hydroxybutyl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107180369
N-cyclopentyl-N-(2-hydroxyethyl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107180339

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropyl)-N,2,2-trimethylcyclohexane-1-carboxamide?
The IUPAC name of N-(2-hydroxypropyl)-N,2,2-trimethylcyclohexane-1-carboxamide (CID 107180341) is N-(2-hydroxypropyl)-N,2,2-trimethylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(2-hydroxypropyl)-N,2,2-trimethylcyclohexane-1-carboxamide?
The canonical SMILES for N-(2-hydroxypropyl)-N,2,2-trimethylcyclohexane-1-carboxamide is CC(O)CN(C)C(=O)C1CCCCC1(C)C.
What is the InChIKey of N-(2-hydroxypropyl)-N,2,2-trimethylcyclohexane-1-carboxamide?
The InChIKey is BTJBCUOZUKSSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-10(15)9-14(4)12(16)11-7-5-6-8-13(11,2)3/h10-11,15H,5-9H2,1-4H3.
What are the key properties of N-(2-hydroxypropyl)-N,2,2-trimethylcyclohexane-1-carboxamide?
N-(2-hydroxypropyl)-N,2,2-trimethylcyclohexane-1-carboxamide has a molecular weight of 227.35 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropyl)-N,2,2-trimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 107180341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).