4-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)-3-methoxybutanamide;hydrochloride

C15H31ClN2O3 — CID 120594260

IUPAC4-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)-3-methoxybutanamide;hydrochloride
SMILESCCCCOC1CC(NC(=O)CC(CN)OC)C1(C)C.Cl
InChIInChI=1S/C15H30N2O3.ClH/c1-5-6-7-20-13-9-12(15(13,2)3)17-14(18)8-11(10-16)19-4;/h11-13H,5-10,16H2,1-4H3,(H,17,18);1H
InChIKeyCOWPGFONRKBRHW-UHFFFAOYSA-N
MW322.88 g/mol
LogP1.87
Rot. Bonds9

About 4-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)-3-methoxybutanamide;hydrochloride

4-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)-3-methoxybutanamide;hydrochloride (PubChem CID 120594260) has the molecular formula C15H31ClN2O3 and a molecular weight of 322.88 g/mol. Its IUPAC name is 4-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)-3-methoxybutanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)-3-methoxybutanamide;hydrochloride
PubChem CID120594260
Molecular FormulaC15H31ClN2O3
Molecular Weight322.88 g/mol
Exact Mass322.20
IUPAC Name4-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)-3-methoxybutanamide;hydrochloride
SMILESCCCCOC1CC(NC(=O)CC(CN)OC)C1(C)C.Cl
InChIInChI=1S/C15H30N2O3.ClH/c1-5-6-7-20-13-9-12(15(13,2)3)17-14(18)8-11(10-16)19-4;/h11-13H,5-10,16H2,1-4H3,(H,17,18);1H
InChIKeyCOWPGFONRKBRHW-UHFFFAOYSA-N
XLogP1.87
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.88
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)-3-methoxybutanamide;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

(3S)-4-amino-N-[(1S,3R)-3-butoxy-2,2-dimethylcyclobutyl]-3-methylbutanamide
CID 100632174
(3S)-4-amino-N-[(1R,3R)-3-butoxy-2,2-dimethylcyclobutyl]-3-methylbutanamide
CID 100632207
4-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)pentanamide
CID 120563993
3-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)-2-methylbutanamide;hydrochloride
CID 120502255
(2S)-2-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)-3,3-dimethylbutanamide
CID 119819267
2-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)-2-methylpentanamide;hydrochloride
CID 119819292
1-(3-butoxy-2,2-dimethylcyclobutyl)-2-(2-methylpropyl)guanidine
CID 111823203
2-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)-2-(oxan-4-yl)acetamide
CID 120796320
3-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)butanamide;hydrochloride
CID 119817878
cis-(1R,3S)-3-butoxy-N,2,2-trimethylcyclobutan-1-amine
CID 95757330
3-[(3-butoxy-2,2-dimethylcyclobutyl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 122005126
(2R)-1-[(3-butoxy-2,2-dimethylcyclobutyl)amino]propan-2-ol
CID 103922183

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)-3-methoxybutanamide;hydrochloride?
The IUPAC name of 4-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)-3-methoxybutanamide;hydrochloride (CID 120594260) is 4-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)-3-methoxybutanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)-3-methoxybutanamide;hydrochloride?
The canonical SMILES for 4-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)-3-methoxybutanamide;hydrochloride is CCCCOC1CC(NC(=O)CC(CN)OC)C1(C)C.Cl.
What is the InChIKey of 4-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)-3-methoxybutanamide;hydrochloride?
The InChIKey is COWPGFONRKBRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3.ClH/c1-5-6-7-20-13-9-12(15(13,2)3)17-14(18)8-11(10-16)19-4;/h11-13H,5-10,16H2,1-4H3,(H,17,18);1H.
What are the key properties of 4-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)-3-methoxybutanamide;hydrochloride?
4-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)-3-methoxybutanamide;hydrochloride has a molecular weight of 322.88 g/mol, XLogP of 1.87, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)-3-methoxybutanamide;hydrochloride is sourced from PubChem (CID 120594260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).