(2S)-2-amino-N-(4-methoxybutyl)-3,3-dimethylbutanamide;hydrochloride

C11H25ClN2O2 — CID 119722377

IUPAC(2S)-2-amino-N-(4-methoxybutyl)-3,3-dimethylbutanamide;hydrochloride
SMILESCOCCCCNC(=O)[C@@H](N)C(C)(C)C.Cl
InChIInChI=1S/C11H24N2O2.ClH/c1-11(2,3)9(12)10(14)13-7-5-6-8-15-4;/h9H,5-8,12H2,1-4H3,(H,13,14);1H/t9-;/m1./s1
InChIKeyFZNDPHLHNKUXRP-SBSPUUFOSA-N
MW252.79 g/mol
LogP1.32
Rot. Bonds6

About (2S)-2-amino-N-(4-methoxybutyl)-3,3-dimethylbutanamide;hydrochloride

(2S)-2-amino-N-(4-methoxybutyl)-3,3-dimethylbutanamide;hydrochloride (PubChem CID 119722377) has the molecular formula C11H25ClN2O2 and a molecular weight of 252.79 g/mol. Its IUPAC name is (2S)-2-amino-N-(4-methoxybutyl)-3,3-dimethylbutanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-(4-methoxybutyl)-3,3-dimethylbutanamide;hydrochloride
PubChem CID119722377
Molecular FormulaC11H25ClN2O2
Molecular Weight252.79 g/mol
Exact Mass252.16
IUPAC Name(2S)-2-amino-N-(4-methoxybutyl)-3,3-dimethylbutanamide;hydrochloride
SMILESCOCCCCNC(=O)[C@@H](N)C(C)(C)C.Cl
InChIInChI=1S/C11H24N2O2.ClH/c1-11(2,3)9(12)10(14)13-7-5-6-8-15-4;/h9H,5-8,12H2,1-4H3,(H,13,14);1H/t9-;/m1./s1
InChIKeyFZNDPHLHNKUXRP-SBSPUUFOSA-N
XLogP1.32
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2S)-2-amino-N-(4-methoxybutyl)-3,3-dimethylbutanamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-amino-N-(3-methoxypropyl)-3,3-dimethylbutanamide
CID 82671375
(2R)-2-amino-N-(4-aminobutyl)-3,3-dimethylbutanamide
CID 103929631
2-amino-N-(4-aminobutyl)-3,3-dimethylbutanamide
CID 76897344
(2S)-2-amino-N-(3-ethoxypropyl)-3,3-dimethylbutanamide;hydrochloride
CID 119675575
2-amino-N-(3-butoxypropyl)-3,3-dimethylbutanamide
CID 115750966
(2S)-2-amino-N-[3-(4-methoxyphenoxy)propyl]-3,3-dimethylbutanamide;hydrochloride
CID 119747949
(2S)-2-amino-N-(3-methoxypropyl)-3-methylbutanamide
CID 22690621
(2R)-2-amino-3,3-dimethyl-N-(4-methylpentyl)butanamide
CID 103929431
(2R)-2-amino-N-hex-5-ynyl-3,3-dimethylbutanamide
CID 106213078
(2S)-2-amino-N-[4-(diethylamino)-4-oxobutyl]-3,3-dimethylbutanamide;hydrochloride
CID 119728295
(2S)-2-amino-3,3-dimethyl-N-[3-[methyl(propan-2-yl)amino]propyl]butanamide
CID 114140545
(2R)-2-amino-N-(3-cyclopropylpropyl)-3,3-dimethylbutanamide
CID 104876667

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(4-methoxybutyl)-3,3-dimethylbutanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-(4-methoxybutyl)-3,3-dimethylbutanamide;hydrochloride (CID 119722377) is (2S)-2-amino-N-(4-methoxybutyl)-3,3-dimethylbutanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-(4-methoxybutyl)-3,3-dimethylbutanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-(4-methoxybutyl)-3,3-dimethylbutanamide;hydrochloride is COCCCCNC(=O)[C@@H](N)C(C)(C)C.Cl.
What is the InChIKey of (2S)-2-amino-N-(4-methoxybutyl)-3,3-dimethylbutanamide;hydrochloride?
The InChIKey is FZNDPHLHNKUXRP-SBSPUUFOSA-N. The full InChI is InChI=1S/C11H24N2O2.ClH/c1-11(2,3)9(12)10(14)13-7-5-6-8-15-4;/h9H,5-8,12H2,1-4H3,(H,13,14);1H/t9-;/m1./s1.
What are the key properties of (2S)-2-amino-N-(4-methoxybutyl)-3,3-dimethylbutanamide;hydrochloride?
(2S)-2-amino-N-(4-methoxybutyl)-3,3-dimethylbutanamide;hydrochloride has a molecular weight of 252.79 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(4-methoxybutyl)-3,3-dimethylbutanamide;hydrochloride is sourced from PubChem (CID 119722377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).