2-(diethylamino)-N-(2,4,4-trimethylpentan-2-yl)propanamide;hydrochloride

C15H33ClN2O — CID 3031108

IUPAC2-(diethylamino)-N-(2,4,4-trimethylpentan-2-yl)propanamide;hydrochloride
SMILESCCN(CC)C(C)C(=O)NC(C)(C)CC(C)(C)C.Cl
InChIInChI=1S/C15H32N2O.ClH/c1-9-17(10-2)12(3)13(18)16-15(7,8)11-14(4,5)6;/h12H,9-11H2,1-8H3,(H,16,18);1H
InChIKeyOLMCZOSPKXWWTM-UHFFFAOYSA-N
MW292.90 g/mol
LogP3.47
Rot. Bonds6

About 2-(diethylamino)-N-(2,4,4-trimethylpentan-2-yl)propanamide;hydrochloride

2-(diethylamino)-N-(2,4,4-trimethylpentan-2-yl)propanamide;hydrochloride (PubChem CID 3031108) has the molecular formula C15H33ClN2O and a molecular weight of 292.90 g/mol. Its IUPAC name is 2-(diethylamino)-N-(2,4,4-trimethylpentan-2-yl)propanamide;hydrochloride.

Molecular Properties

Compound Name2-(diethylamino)-N-(2,4,4-trimethylpentan-2-yl)propanamide;hydrochloride
PubChem CID3031108
Molecular FormulaC15H33ClN2O
Molecular Weight292.90 g/mol
Exact Mass292.23
IUPAC Name2-(diethylamino)-N-(2,4,4-trimethylpentan-2-yl)propanamide;hydrochloride
SMILESCCN(CC)C(C)C(=O)NC(C)(C)CC(C)(C)C.Cl
InChIInChI=1S/C15H32N2O.ClH/c1-9-17(10-2)12(3)13(18)16-15(7,8)11-14(4,5)6;/h12H,9-11H2,1-8H3,(H,16,18);1H
InChIKeyOLMCZOSPKXWWTM-UHFFFAOYSA-N
XLogP3.47
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.90
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(diethylamino)-N-(2,4,4-trimethylpentan-2-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

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-N-(2,4,4-trimethylpentan-2-yl)propanamide;hydrochloride?
The IUPAC name of 2-(diethylamino)-N-(2,4,4-trimethylpentan-2-yl)propanamide;hydrochloride (CID 3031108) is 2-(diethylamino)-N-(2,4,4-trimethylpentan-2-yl)propanamide;hydrochloride.
What is the SMILES notation for 2-(diethylamino)-N-(2,4,4-trimethylpentan-2-yl)propanamide;hydrochloride?
The canonical SMILES for 2-(diethylamino)-N-(2,4,4-trimethylpentan-2-yl)propanamide;hydrochloride is CCN(CC)C(C)C(=O)NC(C)(C)CC(C)(C)C.Cl.
What is the InChIKey of 2-(diethylamino)-N-(2,4,4-trimethylpentan-2-yl)propanamide;hydrochloride?
The InChIKey is OLMCZOSPKXWWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O.ClH/c1-9-17(10-2)12(3)13(18)16-15(7,8)11-14(4,5)6;/h12H,9-11H2,1-8H3,(H,16,18);1H.
What are the key properties of 2-(diethylamino)-N-(2,4,4-trimethylpentan-2-yl)propanamide;hydrochloride?
2-(diethylamino)-N-(2,4,4-trimethylpentan-2-yl)propanamide;hydrochloride has a molecular weight of 292.90 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-N-(2,4,4-trimethylpentan-2-yl)propanamide;hydrochloride is sourced from PubChem (CID 3031108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).