(2S)-2-amino-N-[2-(2-hydroxyethyl)-4-methylpentyl]-3,3-dimethylbutanamide;hydrochloride

C14H31ClN2O2 — CID 119817764

IUPAC(2S)-2-amino-N-[2-(2-hydroxyethyl)-4-methylpentyl]-3,3-dimethylbutanamide;hydrochloride
SMILESCC(C)CC(CCO)CNC(=O)[C@@H](N)C(C)(C)C.Cl
InChIInChI=1S/C14H30N2O2.ClH/c1-10(2)8-11(6-7-17)9-16-13(18)12(15)14(3,4)5;/h10-12,17H,6-9,15H2,1-5H3,(H,16,18);1H/t11?,12-;/m1./s1
InChIKeyFLLQHANFRROVPZ-ALGPSANZSA-N
MW294.87 g/mol
LogP1.94
Rot. Bonds7

About (2S)-2-amino-N-[2-(2-hydroxyethyl)-4-methylpentyl]-3,3-dimethylbutanamide;hydrochloride

(2S)-2-amino-N-[2-(2-hydroxyethyl)-4-methylpentyl]-3,3-dimethylbutanamide;hydrochloride (PubChem CID 119817764) has the molecular formula C14H31ClN2O2 and a molecular weight of 294.87 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(2-hydroxyethyl)-4-methylpentyl]-3,3-dimethylbutanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(2-hydroxyethyl)-4-methylpentyl]-3,3-dimethylbutanamide;hydrochloride
PubChem CID119817764
Molecular FormulaC14H31ClN2O2
Molecular Weight294.87 g/mol
Exact Mass294.21
IUPAC Name(2S)-2-amino-N-[2-(2-hydroxyethyl)-4-methylpentyl]-3,3-dimethylbutanamide;hydrochloride
SMILESCC(C)CC(CCO)CNC(=O)[C@@H](N)C(C)(C)C.Cl
InChIInChI=1S/C14H30N2O2.ClH/c1-10(2)8-11(6-7-17)9-16-13(18)12(15)14(3,4)5;/h10-12,17H,6-9,15H2,1-5H3,(H,16,18);1H/t11?,12-;/m1./s1
InChIKeyFLLQHANFRROVPZ-ALGPSANZSA-N
XLogP1.94
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.87
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-N-[2-(2-hydroxyethyl)-4-methylpentyl]-3,3-dimethylbutanamide;hydrochloride with MolForge

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Related Compounds

(2R)-2-amino-N-[2-(2-hydroxyethyl)pentyl]-3,3-dimethylbutanamide
CID 106116615
(2S)-2-amino-N-[2-(2-hydroxyethyl)-4-methylpentyl]-4-methylpentanamide
CID 119817789
N-[2-(2-hydroxyethyl)-4-methylpentyl]-2-methylpropanamide
CID 111662419
(2S)-2-amino-N-[3-hydroxy-2-(hydroxymethyl)propyl]-3,3-dimethylbutanamide
CID 58124579
2-amino-3,3-dimethyl-N-(2-methylpropyl)butanamide
CID 76892696
2-amino-N-(2-hydroxy-4-methylpentyl)-3,3-dimethylbutanamide
CID 103827723
(2S)-2-amino-N-[2-(2-hydroxyethyl)-4-methylpentyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119343091
2-amino-N-(2-ethylbutyl)-3,3-dimethylbutanamide
CID 115750981
(2S)-2-amino-N-(2-ethyl-4-hydroxybutyl)-4-methylpentanamide;hydrochloride
CID 119790717
(2S)-2-amino-N-(2,3-dimethylbutyl)-3,3-dimethylbutanamide
CID 64598491
(2R)-2-amino-N-(2-ethyl-4-hydroxybutyl)-4-methylpentanamide
CID 104903746
1-[2-(2-hydroxyethyl)-4-methylpentyl]-3-(2-methylpropyl)urea
CID 111503800

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(2-hydroxyethyl)-4-methylpentyl]-3,3-dimethylbutanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[2-(2-hydroxyethyl)-4-methylpentyl]-3,3-dimethylbutanamide;hydrochloride (CID 119817764) is (2S)-2-amino-N-[2-(2-hydroxyethyl)-4-methylpentyl]-3,3-dimethylbutanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[2-(2-hydroxyethyl)-4-methylpentyl]-3,3-dimethylbutanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[2-(2-hydroxyethyl)-4-methylpentyl]-3,3-dimethylbutanamide;hydrochloride is CC(C)CC(CCO)CNC(=O)[C@@H](N)C(C)(C)C.Cl.
What is the InChIKey of (2S)-2-amino-N-[2-(2-hydroxyethyl)-4-methylpentyl]-3,3-dimethylbutanamide;hydrochloride?
The InChIKey is FLLQHANFRROVPZ-ALGPSANZSA-N. The full InChI is InChI=1S/C14H30N2O2.ClH/c1-10(2)8-11(6-7-17)9-16-13(18)12(15)14(3,4)5;/h10-12,17H,6-9,15H2,1-5H3,(H,16,18);1H/t11?,12-;/m1./s1.
What are the key properties of (2S)-2-amino-N-[2-(2-hydroxyethyl)-4-methylpentyl]-3,3-dimethylbutanamide;hydrochloride?
(2S)-2-amino-N-[2-(2-hydroxyethyl)-4-methylpentyl]-3,3-dimethylbutanamide;hydrochloride has a molecular weight of 294.87 g/mol, XLogP of 1.94, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(2-hydroxyethyl)-4-methylpentyl]-3,3-dimethylbutanamide;hydrochloride is sourced from PubChem (CID 119817764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).