N-[4-(2-hydroxyethyl)cyclohexyl]-5,5-dimethylhexanamide

C16H31NO2 — CID 116817249

IUPACN-[4-(2-hydroxyethyl)cyclohexyl]-5,5-dimethylhexanamide
SMILESCC(C)(C)CCCC(=O)NC1CCC(CCO)CC1
InChIInChI=1S/C16H31NO2/c1-16(2,3)11-4-5-15(19)17-14-8-6-13(7-9-14)10-12-18/h13-14,18H,4-12H2,1-3H3,(H,17,19)
InChIKeyKQBHHLFJUNAWLW-UHFFFAOYSA-N
MW269.43 g/mol
LogP3.26
Rot. Bonds6

About N-[4-(2-hydroxyethyl)cyclohexyl]-5,5-dimethylhexanamide

N-[4-(2-hydroxyethyl)cyclohexyl]-5,5-dimethylhexanamide (PubChem CID 116817249) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is N-[4-(2-hydroxyethyl)cyclohexyl]-5,5-dimethylhexanamide.

Molecular Properties

Compound NameN-[4-(2-hydroxyethyl)cyclohexyl]-5,5-dimethylhexanamide
PubChem CID116817249
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC NameN-[4-(2-hydroxyethyl)cyclohexyl]-5,5-dimethylhexanamide
SMILESCC(C)(C)CCCC(=O)NC1CCC(CCO)CC1
InChIInChI=1S/C16H31NO2/c1-16(2,3)11-4-5-15(19)17-14-8-6-13(7-9-14)10-12-18/h13-14,18H,4-12H2,1-3H3,(H,17,19)
InChIKeyKQBHHLFJUNAWLW-UHFFFAOYSA-N
XLogP3.26
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(2-hydroxyethyl)cyclohexyl]-4-methylpentanamide
CID 116817227
4-cyclobutyl-N-[4-(hydroxymethyl)cyclohexyl]butanamide
CID 115277387
5-oxo-5-[(4-propylcyclohexyl)amino]pentanoic acid
CID 54962890
N,N'-dicyclopropyldecanediamide
CID 4668836
N-[4-(2-hydroxyethyl)cyclohexyl]-3-(1H-pyrrol-2-yl)propanamide
CID 116817243
N-(3-aminocyclopentyl)-4,4-dimethylpentanamide
CID 115272907
N,N'-dicyclopropylbutanediamide
CID 5225156
4-chloro-N-(4-ethylcyclohexyl)butanamide
CID 63308231
7-amino-N-(4-butylcyclohexyl)heptanamide;hydrochloride
CID 119750320
N-(1-tert-butylpiperidin-4-yl)-5-hydroxypentanamide
CID 79199518
N-[4-[(4-hydroxycyclohexyl)amino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 43394652
3-hydroxy-N-(4-methylcyclohexyl)propanamide
CID 90305092

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-hydroxyethyl)cyclohexyl]-5,5-dimethylhexanamide?
The IUPAC name of N-[4-(2-hydroxyethyl)cyclohexyl]-5,5-dimethylhexanamide (CID 116817249) is N-[4-(2-hydroxyethyl)cyclohexyl]-5,5-dimethylhexanamide.
What is the SMILES notation for N-[4-(2-hydroxyethyl)cyclohexyl]-5,5-dimethylhexanamide?
The canonical SMILES for N-[4-(2-hydroxyethyl)cyclohexyl]-5,5-dimethylhexanamide is CC(C)(C)CCCC(=O)NC1CCC(CCO)CC1.
What is the InChIKey of N-[4-(2-hydroxyethyl)cyclohexyl]-5,5-dimethylhexanamide?
The InChIKey is KQBHHLFJUNAWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-16(2,3)11-4-5-15(19)17-14-8-6-13(7-9-14)10-12-18/h13-14,18H,4-12H2,1-3H3,(H,17,19).
What are the key properties of N-[4-(2-hydroxyethyl)cyclohexyl]-5,5-dimethylhexanamide?
N-[4-(2-hydroxyethyl)cyclohexyl]-5,5-dimethylhexanamide has a molecular weight of 269.43 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-hydroxyethyl)cyclohexyl]-5,5-dimethylhexanamide is sourced from PubChem (CID 116817249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).