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

C16H33ClN2O2 — CID 119819292

IUPAC2-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)-2-methylpentanamide;hydrochloride
SMILESCCCCOC1CC(NC(=O)C(C)(N)CCC)C1(C)C.Cl
InChIInChI=1S/C16H32N2O2.ClH/c1-6-8-10-20-13-11-12(15(13,3)4)18-14(19)16(5,17)9-7-2;/h12-13H,6-11,17H2,1-5H3,(H,18,19);1H
InChIKeyMLDZNNBONWIOMF-UHFFFAOYSA-N
MW320.91 g/mol
LogP3.03
Rot. Bonds8

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

2-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)-2-methylpentanamide;hydrochloride (PubChem CID 119819292) has the molecular formula C16H33ClN2O2 and a molecular weight of 320.91 g/mol. Its IUPAC name is 2-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)-2-methylpentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)-2-methylpentanamide;hydrochloride
PubChem CID119819292
Molecular FormulaC16H33ClN2O2
Molecular Weight320.91 g/mol
Exact Mass320.22
IUPAC Name2-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)-2-methylpentanamide;hydrochloride
SMILESCCCCOC1CC(NC(=O)C(C)(N)CCC)C1(C)C.Cl
InChIInChI=1S/C16H32N2O2.ClH/c1-6-8-10-20-13-11-12(15(13,3)4)18-14(19)16(5,17)9-7-2;/h12-13H,6-11,17H2,1-5H3,(H,18,19);1H
InChIKeyMLDZNNBONWIOMF-UHFFFAOYSA-N
XLogP3.03
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.91
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)-2-methylpentanamide
CID 113267255
(2S)-2-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)-3,3-dimethylbutanamide
CID 119819267
2-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methylpentanamide
CID 114629833
3-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)-2-methylbutanamide;hydrochloride
CID 120502255
2-amino-N-(3-ethoxyspiro[3.3]heptan-1-yl)-2-methylpentanamide;hydrochloride
CID 119803524
4-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)-3-methoxybutanamide;hydrochloride
CID 120594260
N-(3-butoxy-2,2-dimethylcyclobutyl)piperidine-3-carboxamide;hydrochloride
CID 119343920
(3S)-4-amino-N-[(1S,3R)-3-butoxy-2,2-dimethylcyclobutyl]-3-methylbutanamide
CID 100632174
4-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)pentanamide
CID 120563993
(3S)-4-amino-N-[(1R,3R)-3-butoxy-2,2-dimethylcyclobutyl]-3-methylbutanamide
CID 100632207
cis-(1R,3S)-3-butoxy-N,2,2-trimethylcyclobutan-1-amine
CID 95757330
1-(3-butoxy-2,2-dimethylcyclobutyl)-2,3-dimethylguanidine
CID 111757560

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)-2-methylpentanamide;hydrochloride?
The IUPAC name of 2-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)-2-methylpentanamide;hydrochloride (CID 119819292) is 2-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)-2-methylpentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)-2-methylpentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)-2-methylpentanamide;hydrochloride is CCCCOC1CC(NC(=O)C(C)(N)CCC)C1(C)C.Cl.
What is the InChIKey of 2-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)-2-methylpentanamide;hydrochloride?
The InChIKey is MLDZNNBONWIOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2.ClH/c1-6-8-10-20-13-11-12(15(13,3)4)18-14(19)16(5,17)9-7-2;/h12-13H,6-11,17H2,1-5H3,(H,18,19);1H.
What are the key properties of 2-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)-2-methylpentanamide;hydrochloride?
2-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)-2-methylpentanamide;hydrochloride has a molecular weight of 320.91 g/mol, XLogP of 3.03, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)-2-methylpentanamide;hydrochloride is sourced from PubChem (CID 119819292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).