N-[2-(2-hydroxycyclohexyl)ethyl]-2,3-dimethylbutanamide

C14H27NO2 — CID 165488206

IUPACN-[2-(2-hydroxycyclohexyl)ethyl]-2,3-dimethylbutanamide
SMILESCC(C)C(C)C(=O)NCCC1CCCCC1O
InChIInChI=1S/C14H27NO2/c1-10(2)11(3)14(17)15-9-8-12-6-4-5-7-13(12)16/h10-13,16H,4-9H2,1-3H3,(H,15,17)
InChIKeyBVIOJUMGKLLOSK-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.34
Rot. Bonds5

About N-[2-(2-hydroxycyclohexyl)ethyl]-2,3-dimethylbutanamide

N-[2-(2-hydroxycyclohexyl)ethyl]-2,3-dimethylbutanamide (PubChem CID 165488206) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is N-[2-(2-hydroxycyclohexyl)ethyl]-2,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[2-(2-hydroxycyclohexyl)ethyl]-2,3-dimethylbutanamide
PubChem CID165488206
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC NameN-[2-(2-hydroxycyclohexyl)ethyl]-2,3-dimethylbutanamide
SMILESCC(C)C(C)C(=O)NCCC1CCCCC1O
InChIInChI=1S/C14H27NO2/c1-10(2)11(3)14(17)15-9-8-12-6-4-5-7-13(12)16/h10-13,16H,4-9H2,1-3H3,(H,15,17)
InChIKeyBVIOJUMGKLLOSK-UHFFFAOYSA-N
XLogP2.34
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-hydroxycyclohexyl)ethyl]-2-methylpropanamide
CID 165463094
N-[2-[(1S,2R)-2-hydroxycyclohexyl]ethyl]prop-2-enamide
CID 166415844
3-amino-N-[(2-hydroxycyclohexyl)methyl]-2-methylbutanamide;hydrochloride
CID 120501252
N-[(2-hydroxycyclohexyl)methyl]-3-methyl-2-sulfanylbutanamide
CID 107031039
2-chloro-N-[(2-hydroxycyclohexyl)methyl]propanamide
CID 64929109
(2R)-2-amino-N-[(2-hydroxycyclohexyl)methyl]propanamide
CID 79001441
5-[(1S,2S)-2-hydroxycyclohexyl]-3-methylpentan-2-one
CID 59045631
2,3-dimethyl-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride
CID 119555477
(2S)-2-amino-N-[(2-hydroxycyclopentyl)methyl]-3-methylbutanamide
CID 79025652
(2S)-N-[3-[(1R,2S)-2-hydroxycyclopentyl]propyl]-2-phenylpropanamide
CID 99856024
N-butyl-2-[(2-hydroxycyclohexyl)methylamino]propanamide
CID 64913889
2-[3-(3-methylbutan-2-ylamino)propyl]cyclopentan-1-ol
CID 115894901

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxycyclohexyl)ethyl]-2,3-dimethylbutanamide?
The IUPAC name of N-[2-(2-hydroxycyclohexyl)ethyl]-2,3-dimethylbutanamide (CID 165488206) is N-[2-(2-hydroxycyclohexyl)ethyl]-2,3-dimethylbutanamide.
What is the SMILES notation for N-[2-(2-hydroxycyclohexyl)ethyl]-2,3-dimethylbutanamide?
The canonical SMILES for N-[2-(2-hydroxycyclohexyl)ethyl]-2,3-dimethylbutanamide is CC(C)C(C)C(=O)NCCC1CCCCC1O.
What is the InChIKey of N-[2-(2-hydroxycyclohexyl)ethyl]-2,3-dimethylbutanamide?
The InChIKey is BVIOJUMGKLLOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-10(2)11(3)14(17)15-9-8-12-6-4-5-7-13(12)16/h10-13,16H,4-9H2,1-3H3,(H,15,17).
What are the key properties of N-[2-(2-hydroxycyclohexyl)ethyl]-2,3-dimethylbutanamide?
N-[2-(2-hydroxycyclohexyl)ethyl]-2,3-dimethylbutanamide has a molecular weight of 241.37 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxycyclohexyl)ethyl]-2,3-dimethylbutanamide is sourced from PubChem (CID 165488206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).