3-(2-aminophenyl)-N-(2,2-diethylbutyl)propanamide;hydrochloride

C17H29ClN2O — CID 120611896

IUPAC3-(2-aminophenyl)-N-(2,2-diethylbutyl)propanamide;hydrochloride
SMILESCCC(CC)(CC)CNC(=O)CCc1ccccc1N.Cl
InChIInChI=1S/C17H28N2O.ClH/c1-4-17(5-2,6-3)13-19-16(20)12-11-14-9-7-8-10-15(14)18;/h7-10H,4-6,11-13,18H2,1-3H3,(H,19,20);1H
InChIKeyJEEJXWXMRIXCNG-UHFFFAOYSA-N
MW312.88 g/mol
LogP3.96
Rot. Bonds8

About 3-(2-aminophenyl)-N-(2,2-diethylbutyl)propanamide;hydrochloride

3-(2-aminophenyl)-N-(2,2-diethylbutyl)propanamide;hydrochloride (PubChem CID 120611896) has the molecular formula C17H29ClN2O and a molecular weight of 312.88 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-(2,2-diethylbutyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-(2,2-diethylbutyl)propanamide;hydrochloride
PubChem CID120611896
Molecular FormulaC17H29ClN2O
Molecular Weight312.88 g/mol
Exact Mass312.20
IUPAC Name3-(2-aminophenyl)-N-(2,2-diethylbutyl)propanamide;hydrochloride
SMILESCCC(CC)(CC)CNC(=O)CCc1ccccc1N.Cl
InChIInChI=1S/C17H28N2O.ClH/c1-4-17(5-2,6-3)13-19-16(20)12-11-14-9-7-8-10-15(14)18;/h7-10H,4-6,11-13,18H2,1-3H3,(H,19,20);1H
InChIKeyJEEJXWXMRIXCNG-UHFFFAOYSA-N
XLogP3.96
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.88
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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N-(2-amino-2-ethylbutyl)-3-(2-methylphenyl)propanamide;hydrochloride
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3-(2-aminophenyl)-N-[3-(dimethylamino)-3-oxopropyl]propanamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-(2,2-diethylbutyl)propanamide;hydrochloride?
The IUPAC name of 3-(2-aminophenyl)-N-(2,2-diethylbutyl)propanamide;hydrochloride (CID 120611896) is 3-(2-aminophenyl)-N-(2,2-diethylbutyl)propanamide;hydrochloride.
What is the SMILES notation for 3-(2-aminophenyl)-N-(2,2-diethylbutyl)propanamide;hydrochloride?
The canonical SMILES for 3-(2-aminophenyl)-N-(2,2-diethylbutyl)propanamide;hydrochloride is CCC(CC)(CC)CNC(=O)CCc1ccccc1N.Cl.
What is the InChIKey of 3-(2-aminophenyl)-N-(2,2-diethylbutyl)propanamide;hydrochloride?
The InChIKey is JEEJXWXMRIXCNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O.ClH/c1-4-17(5-2,6-3)13-19-16(20)12-11-14-9-7-8-10-15(14)18;/h7-10H,4-6,11-13,18H2,1-3H3,(H,19,20);1H.
What are the key properties of 3-(2-aminophenyl)-N-(2,2-diethylbutyl)propanamide;hydrochloride?
3-(2-aminophenyl)-N-(2,2-diethylbutyl)propanamide;hydrochloride has a molecular weight of 312.88 g/mol, XLogP of 3.96, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-(2,2-diethylbutyl)propanamide;hydrochloride is sourced from PubChem (CID 120611896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).