N-(1-amino-2,3-dimethylbutan-2-yl)-2-pentoxyacetamide;hydrochloride

C13H29ClN2O2 — CID 119605723

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-2-pentoxyacetamide;hydrochloride
SMILESCCCCCOCC(=O)NC(C)(CN)C(C)C.Cl
InChIInChI=1S/C13H28N2O2.ClH/c1-5-6-7-8-17-9-12(16)15-13(4,10-14)11(2)3;/h11H,5-10,14H2,1-4H3,(H,15,16);1H
InChIKeyHMMDUROCVAIZLK-UHFFFAOYSA-N
MW280.84 g/mol
LogP2.10
Rot. Bonds9

About N-(1-amino-2,3-dimethylbutan-2-yl)-2-pentoxyacetamide;hydrochloride

N-(1-amino-2,3-dimethylbutan-2-yl)-2-pentoxyacetamide;hydrochloride (PubChem CID 119605723) has the molecular formula C13H29ClN2O2 and a molecular weight of 280.84 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-2-pentoxyacetamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-2-pentoxyacetamide;hydrochloride
PubChem CID119605723
Molecular FormulaC13H29ClN2O2
Molecular Weight280.84 g/mol
Exact Mass280.19
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-2-pentoxyacetamide;hydrochloride
SMILESCCCCCOCC(=O)NC(C)(CN)C(C)C.Cl
InChIInChI=1S/C13H28N2O2.ClH/c1-5-6-7-8-17-9-12(16)15-13(4,10-14)11(2)3;/h11H,5-10,14H2,1-4H3,(H,15,16);1H
InChIKeyHMMDUROCVAIZLK-UHFFFAOYSA-N
XLogP2.10
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.84
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(1-amino-2,3-dimethylbutan-2-yl)-2-pentoxyacetamide;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

N-(1-amino-2,3-dimethylbutan-2-yl)decanamide
CID 115310393
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide;hydrochloride
CID 119606098
N-(1-amino-2,4-dimethylpentan-2-yl)-2-butoxyacetamide
CID 119598279
N-(1-amino-2,3-dimethylbutan-2-yl)-3-ethoxypropanamide;hydrochloride
CID 119606115
N-[(2S)-1-aminopropan-2-yl]-2-pentoxyacetamide
CID 120506511
N-(1-amino-2,3-dimethylbutan-2-yl)-4-methoxybutanamide
CID 81487568
2-[(2-butoxyacetyl)amino]-2-methylpropanoic acid
CID 119187574
2-decoxy-N-(1-hydroxyethyl)acetamide
CID 88812152
N-(1-amino-2,3-dimethylbutan-2-yl)-2-propylsulfanylacetamide
CID 119606876
N-(2-amino-2-ethylbutyl)-2-pentoxyacetamide;hydrochloride
CID 119639970
N-(1-amino-2,3-dimethylbutan-2-yl)-2-phenoxyacetamide;hydrochloride
CID 119605895
N-(1-amino-2,3-dimethylbutan-2-yl)-3-ethyl-4-methylpentanamide;hydrochloride
CID 119605747

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-2-pentoxyacetamide;hydrochloride?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-2-pentoxyacetamide;hydrochloride (CID 119605723) is N-(1-amino-2,3-dimethylbutan-2-yl)-2-pentoxyacetamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-2-pentoxyacetamide;hydrochloride?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-2-pentoxyacetamide;hydrochloride is CCCCCOCC(=O)NC(C)(CN)C(C)C.Cl.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-2-pentoxyacetamide;hydrochloride?
The InChIKey is HMMDUROCVAIZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2.ClH/c1-5-6-7-8-17-9-12(16)15-13(4,10-14)11(2)3;/h11H,5-10,14H2,1-4H3,(H,15,16);1H.
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-2-pentoxyacetamide;hydrochloride?
N-(1-amino-2,3-dimethylbutan-2-yl)-2-pentoxyacetamide;hydrochloride has a molecular weight of 280.84 g/mol, XLogP of 2.10, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-2-pentoxyacetamide;hydrochloride is sourced from PubChem (CID 119605723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).