3-amino-4-cyclohexyl-2-hydroxy-N-methylbutanamide

C11H22N2O2 — CID 14478229

IUPAC3-amino-4-cyclohexyl-2-hydroxy-N-methylbutanamide
SMILESCNC(=O)C(O)C(N)CC1CCCCC1
InChIInChI=1S/C11H22N2O2/c1-13-11(15)10(14)9(12)7-8-5-3-2-4-6-8/h8-10,14H,2-7,12H2,1H3,(H,13,15)
InChIKeyYAGYMWKRSHELIX-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.39
Rot. Bonds4

About 3-amino-4-cyclohexyl-2-hydroxy-N-methylbutanamide

3-amino-4-cyclohexyl-2-hydroxy-N-methylbutanamide (PubChem CID 14478229) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-amino-4-cyclohexyl-2-hydroxy-N-methylbutanamide.

Molecular Properties

Compound Name3-amino-4-cyclohexyl-2-hydroxy-N-methylbutanamide
PubChem CID14478229
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name3-amino-4-cyclohexyl-2-hydroxy-N-methylbutanamide
SMILESCNC(=O)C(O)C(N)CC1CCCCC1
InChIInChI=1S/C11H22N2O2/c1-13-11(15)10(14)9(12)7-8-5-3-2-4-6-8/h8-10,14H,2-7,12H2,1H3,(H,13,15)
InChIKeyYAGYMWKRSHELIX-UHFFFAOYSA-N
XLogP0.39
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3S)-3-amino-4-cyclohexyl-2-hydroxybutanoic acid
CID 10987299
ethyl 3-[[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]amino]butanoate
CID 70097268
(3R)-3-amino-4-cyclohexyl-N-(4-fluorophenyl)-2-hydroxybutanamide
CID 54413400
ethyl 3-[[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]amino]propanoate;hydrochloride
CID 70063212
3-amino-N-[(1R,4S)-2-bicyclo[2.2.1]heptanyl]-4-cyclohexyl-2-hydroxybutanamide
CID 142647883
4-[(3-amino-4-cyclohexyl-2-hydroxybutanoyl)amino]piperidine-1-carboxylic acid
CID 141016943
(3R)-3-amino-4-cyclohexyl-2-hydroxy-N-(2-methylphenyl)butanamide
CID 70065939
3-amino-N-chloro-4-cyclopropyl-2-hydroxybutanamide
CID 171058651
(2S,4S,5S)-5-amino-2-(2-chloroprop-2-enyl)-6-cyclohexyl-4-hydroxy-N-methylhexanamide
CID 87616387
(3R)-3-amino-4-cyclohexyl-2-hydroxy-N-[3-(2-methylpropoxy)propyl]butanamide;hydrochloride
CID 70064203
dimethyl 2-(cyclohexylmethyl)propanedioate
CID 22460415
(2S,4R)-2,4-diamino-1,5-dicyclohexylpentan-3-ol
CID 10636664

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-cyclohexyl-2-hydroxy-N-methylbutanamide?
The IUPAC name of 3-amino-4-cyclohexyl-2-hydroxy-N-methylbutanamide (CID 14478229) is 3-amino-4-cyclohexyl-2-hydroxy-N-methylbutanamide.
What is the SMILES notation for 3-amino-4-cyclohexyl-2-hydroxy-N-methylbutanamide?
The canonical SMILES for 3-amino-4-cyclohexyl-2-hydroxy-N-methylbutanamide is CNC(=O)C(O)C(N)CC1CCCCC1.
What is the InChIKey of 3-amino-4-cyclohexyl-2-hydroxy-N-methylbutanamide?
The InChIKey is YAGYMWKRSHELIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-13-11(15)10(14)9(12)7-8-5-3-2-4-6-8/h8-10,14H,2-7,12H2,1H3,(H,13,15).
What are the key properties of 3-amino-4-cyclohexyl-2-hydroxy-N-methylbutanamide?
3-amino-4-cyclohexyl-2-hydroxy-N-methylbutanamide has a molecular weight of 214.31 g/mol, XLogP of 0.39, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-cyclohexyl-2-hydroxy-N-methylbutanamide is sourced from PubChem (CID 14478229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).