4-amino-N-(2-methoxy-3,3-dimethylbutyl)butanamide;hydrochloride

C11H25ClN2O2 — CID 119341487

IUPAC4-amino-N-(2-methoxy-3,3-dimethylbutyl)butanamide;hydrochloride
SMILESCOC(CNC(=O)CCCN)C(C)(C)C.Cl
InChIInChI=1S/C11H24N2O2.ClH/c1-11(2,3)9(15-4)8-13-10(14)6-5-7-12;/h9H,5-8,12H2,1-4H3,(H,13,14);1H
InChIKeyIROHSGHAWUPECP-UHFFFAOYSA-N
MW252.79 g/mol
LogP1.32
Rot. Bonds6

About 4-amino-N-(2-methoxy-3,3-dimethylbutyl)butanamide;hydrochloride

4-amino-N-(2-methoxy-3,3-dimethylbutyl)butanamide;hydrochloride (PubChem CID 119341487) has the molecular formula C11H25ClN2O2 and a molecular weight of 252.79 g/mol. Its IUPAC name is 4-amino-N-(2-methoxy-3,3-dimethylbutyl)butanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-(2-methoxy-3,3-dimethylbutyl)butanamide;hydrochloride
PubChem CID119341487
Molecular FormulaC11H25ClN2O2
Molecular Weight252.79 g/mol
Exact Mass252.16
IUPAC Name4-amino-N-(2-methoxy-3,3-dimethylbutyl)butanamide;hydrochloride
SMILESCOC(CNC(=O)CCCN)C(C)(C)C.Cl
InChIInChI=1S/C11H24N2O2.ClH/c1-11(2,3)9(15-4)8-13-10(14)6-5-7-12;/h9H,5-8,12H2,1-4H3,(H,13,14);1H
InChIKeyIROHSGHAWUPECP-UHFFFAOYSA-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

Analyze 4-amino-N-(2-methoxy-3,3-dimethylbutyl)butanamide;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

4-amino-N-(2-methoxypropyl)butanamide
CID 102694810
3-amino-N-(2-methoxy-3,3-dimethylbutyl)-2-methylbutanamide;hydrochloride
CID 120502078
7-amino-N-(2,3-dimethylbutyl)heptanamide;hydrochloride
CID 119796493
methyl 3-(4-aminobutanoylamino)-2,2-dimethylpropanoate
CID 119326927
2-amino-N-(2-methoxy-3,3-dimethylbutyl)pentanamide;hydrochloride
CID 119341481
3-amino-N-(2,2-dimethoxyethyl)propanamide
CID 61275461
4-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]butanamide;hydrochloride
CID 119328673
4-amino-N-[2-(4-fluorophenyl)-2-methoxyethyl]butanamide
CID 119343022
4-amino-N-(4-methoxy-4-methylpentan-2-yl)butanamide
CID 119334828
2-[(6-aminohexanoylamino)methyl]-3-methylbutanoic acid
CID 65224486
4-amino-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]butanamide;hydrochloride
CID 119293246
6-amino-N-(2-methylpropyl)hexanamide
CID 24696940

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-methoxy-3,3-dimethylbutyl)butanamide;hydrochloride?
The IUPAC name of 4-amino-N-(2-methoxy-3,3-dimethylbutyl)butanamide;hydrochloride (CID 119341487) is 4-amino-N-(2-methoxy-3,3-dimethylbutyl)butanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-(2-methoxy-3,3-dimethylbutyl)butanamide;hydrochloride?
The canonical SMILES for 4-amino-N-(2-methoxy-3,3-dimethylbutyl)butanamide;hydrochloride is COC(CNC(=O)CCCN)C(C)(C)C.Cl.
What is the InChIKey of 4-amino-N-(2-methoxy-3,3-dimethylbutyl)butanamide;hydrochloride?
The InChIKey is IROHSGHAWUPECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2.ClH/c1-11(2,3)9(15-4)8-13-10(14)6-5-7-12;/h9H,5-8,12H2,1-4H3,(H,13,14);1H.
What are the key properties of 4-amino-N-(2-methoxy-3,3-dimethylbutyl)butanamide;hydrochloride?
4-amino-N-(2-methoxy-3,3-dimethylbutyl)butanamide;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 4-amino-N-(2-methoxy-3,3-dimethylbutyl)butanamide;hydrochloride is sourced from PubChem (CID 119341487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).