2-amino-N-(2-hydroxy-4-methylpentyl)-3,3-dimethylbutanamide

C12H26N2O2 — CID 103827723

IUPAC2-amino-N-(2-hydroxy-4-methylpentyl)-3,3-dimethylbutanamide
SMILESCC(C)CC(O)CNC(=O)C(N)C(C)(C)C
InChIInChI=1S/C12H26N2O2/c1-8(2)6-9(15)7-14-11(16)10(13)12(3,4)5/h8-10,15H,6-7,13H2,1-5H3,(H,14,16)
InChIKeyOGBQLGIUZSWHJB-UHFFFAOYSA-N
MW230.35 g/mol
LogP0.88
Rot. Bonds5

About 2-amino-N-(2-hydroxy-4-methylpentyl)-3,3-dimethylbutanamide

2-amino-N-(2-hydroxy-4-methylpentyl)-3,3-dimethylbutanamide (PubChem CID 103827723) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-amino-N-(2-hydroxy-4-methylpentyl)-3,3-dimethylbutanamide.

Molecular Properties

Compound Name2-amino-N-(2-hydroxy-4-methylpentyl)-3,3-dimethylbutanamide
PubChem CID103827723
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name2-amino-N-(2-hydroxy-4-methylpentyl)-3,3-dimethylbutanamide
SMILESCC(C)CC(O)CNC(=O)C(N)C(C)(C)C
InChIInChI=1S/C12H26N2O2/c1-8(2)6-9(15)7-14-11(16)10(13)12(3,4)5/h8-10,15H,6-7,13H2,1-5H3,(H,14,16)
InChIKeyOGBQLGIUZSWHJB-UHFFFAOYSA-N
XLogP0.88
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3,3-dimethyl-N-(2-methylpropyl)butanamide
CID 76892696
3-amino-N-(2-hydroxy-4-methylpentyl)-2-methylbutanamide
CID 103581045
(2S)-2-amino-N-(2,3-dimethylbutyl)-3,3-dimethylbutanamide
CID 64598491
(2S)-2-amino-N-[2-(2-hydroxyethyl)-4-methylpentyl]-3,3-dimethylbutanamide;hydrochloride
CID 119817764
(2S)-2-amino-N-(2-hydroxy-3-methylpentyl)-3,3-dimethylbutanamide;hydrochloride
CID 119784033
3-[(2-hydroxy-4-methylpentyl)amino]-2-methyl-3-oxopropanoic acid
CID 107155574
(2S)-2-amino-N-[3-hydroxy-2-(hydroxymethyl)propyl]-3,3-dimethylbutanamide
CID 58124579
2-amino-N-(2-ethylbutyl)-3,3-dimethylbutanamide
CID 115750981
(2R)-2-amino-3,3-dimethyl-N-(4-methylpentan-2-yl)butanamide
CID 103928461
(2S)-2-amino-3,3-dimethyl-N-(2-methylsulfinylpropyl)butanamide
CID 104865583
(2R)-2-amino-3,3-dimethyl-N-(4-methylpentyl)butanamide
CID 103929431
2-amino-N-(2-hydroxy-4-methylpentyl)-4-methylsulfonylbutanamide
CID 103827722

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-hydroxy-4-methylpentyl)-3,3-dimethylbutanamide?
The IUPAC name of 2-amino-N-(2-hydroxy-4-methylpentyl)-3,3-dimethylbutanamide (CID 103827723) is 2-amino-N-(2-hydroxy-4-methylpentyl)-3,3-dimethylbutanamide.
What is the SMILES notation for 2-amino-N-(2-hydroxy-4-methylpentyl)-3,3-dimethylbutanamide?
The canonical SMILES for 2-amino-N-(2-hydroxy-4-methylpentyl)-3,3-dimethylbutanamide is CC(C)CC(O)CNC(=O)C(N)C(C)(C)C.
What is the InChIKey of 2-amino-N-(2-hydroxy-4-methylpentyl)-3,3-dimethylbutanamide?
The InChIKey is OGBQLGIUZSWHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-8(2)6-9(15)7-14-11(16)10(13)12(3,4)5/h8-10,15H,6-7,13H2,1-5H3,(H,14,16).
What are the key properties of 2-amino-N-(2-hydroxy-4-methylpentyl)-3,3-dimethylbutanamide?
2-amino-N-(2-hydroxy-4-methylpentyl)-3,3-dimethylbutanamide has a molecular weight of 230.35 g/mol, XLogP of 0.88, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-hydroxy-4-methylpentyl)-3,3-dimethylbutanamide is sourced from PubChem (CID 103827723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).