N-(2-amino-2-ethylbutyl)-3-(oxolan-3-yl)propanamide;hydrochloride

C13H27ClN2O2 — CID 119642266

IUPACN-(2-amino-2-ethylbutyl)-3-(oxolan-3-yl)propanamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)CCC1CCOC1.Cl
InChIInChI=1S/C13H26N2O2.ClH/c1-3-13(14,4-2)10-15-12(16)6-5-11-7-8-17-9-11;/h11H,3-10,14H2,1-2H3,(H,15,16);1H
InChIKeyMKLVIYMBZUZMRT-UHFFFAOYSA-N
MW278.82 g/mol
LogP1.86
Rot. Bonds7

About N-(2-amino-2-ethylbutyl)-3-(oxolan-3-yl)propanamide;hydrochloride

N-(2-amino-2-ethylbutyl)-3-(oxolan-3-yl)propanamide;hydrochloride (PubChem CID 119642266) has the molecular formula C13H27ClN2O2 and a molecular weight of 278.82 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-3-(oxolan-3-yl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-3-(oxolan-3-yl)propanamide;hydrochloride
PubChem CID119642266
Molecular FormulaC13H27ClN2O2
Molecular Weight278.82 g/mol
Exact Mass278.18
IUPAC NameN-(2-amino-2-ethylbutyl)-3-(oxolan-3-yl)propanamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)CCC1CCOC1.Cl
InChIInChI=1S/C13H26N2O2.ClH/c1-3-13(14,4-2)10-15-12(16)6-5-11-7-8-17-9-11;/h11H,3-10,14H2,1-2H3,(H,15,16);1H
InChIKeyMKLVIYMBZUZMRT-UHFFFAOYSA-N
XLogP1.86
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.82
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-amino-2-ethylbutyl)-3-(oxolan-3-yl)propanamide;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-(2-amino-2-ethylbutyl)-4-cyclopentylbutanamide;hydrochloride
CID 119644018
N-[3-(aminomethyl)pentan-3-yl]-3-(oxolan-3-yl)propanamide
CID 119570738
N-[3-(methylamino)propyl]-3-(oxolan-3-yl)propanamide;hydrochloride
CID 119432420
3-[3-(oxolan-3-yl)propanoylamino]propanoic acid
CID 119351070
ethyl 3-[(3R)-oxolan-3-yl]propanoate
CID 86314190
N-(2-amino-2-ethylbutyl)-2-cyclopentylacetamide
CID 81424334
N-(2-amino-2-methylpropyl)-3-cyclopentylpropanamide
CID 81425234
N'-(2-amino-2-ethylbutyl)-N-propylbutanediamide;hydrochloride
CID 119642895
N'-(2-amino-2-ethylbutyl)-N-ethylpentanediamide;hydrochloride
CID 119643328
2-amino-2-methyl-N-(oxolan-3-ylmethyl)butanamide
CID 79797743
4-[[3-(oxolan-3-yl)propanoylamino]methyl]benzoic acid
CID 119353374
4-methyl-4-[3-(oxolan-3-yl)propanoylamino]pentanoic acid
CID 119357318

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-3-(oxolan-3-yl)propanamide;hydrochloride?
The IUPAC name of N-(2-amino-2-ethylbutyl)-3-(oxolan-3-yl)propanamide;hydrochloride (CID 119642266) is N-(2-amino-2-ethylbutyl)-3-(oxolan-3-yl)propanamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-3-(oxolan-3-yl)propanamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-3-(oxolan-3-yl)propanamide;hydrochloride is CCC(N)(CC)CNC(=O)CCC1CCOC1.Cl.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-3-(oxolan-3-yl)propanamide;hydrochloride?
The InChIKey is MKLVIYMBZUZMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2.ClH/c1-3-13(14,4-2)10-15-12(16)6-5-11-7-8-17-9-11;/h11H,3-10,14H2,1-2H3,(H,15,16);1H.
What are the key properties of N-(2-amino-2-ethylbutyl)-3-(oxolan-3-yl)propanamide;hydrochloride?
N-(2-amino-2-ethylbutyl)-3-(oxolan-3-yl)propanamide;hydrochloride has a molecular weight of 278.82 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-3-(oxolan-3-yl)propanamide;hydrochloride is sourced from PubChem (CID 119642266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).