3-amino-N-(2-ethylbutyl)-2-methyl-3-phenylpropanamide;hydrochloride

C16H27ClN2O — CID 119706690

IUPAC3-amino-N-(2-ethylbutyl)-2-methyl-3-phenylpropanamide;hydrochloride
SMILESCCC(CC)CNC(=O)C(C)C(N)c1ccccc1.Cl
InChIInChI=1S/C16H26N2O.ClH/c1-4-13(5-2)11-18-16(19)12(3)15(17)14-9-7-6-8-10-14;/h6-10,12-13,15H,4-5,11,17H2,1-3H3,(H,18,19);1H
InChIKeyJMXNKTGWGOLVFH-UHFFFAOYSA-N
MW298.86 g/mol
LogP3.30
Rot. Bonds7

About 3-amino-N-(2-ethylbutyl)-2-methyl-3-phenylpropanamide;hydrochloride

3-amino-N-(2-ethylbutyl)-2-methyl-3-phenylpropanamide;hydrochloride (PubChem CID 119706690) has the molecular formula C16H27ClN2O and a molecular weight of 298.86 g/mol. Its IUPAC name is 3-amino-N-(2-ethylbutyl)-2-methyl-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(2-ethylbutyl)-2-methyl-3-phenylpropanamide;hydrochloride
PubChem CID119706690
Molecular FormulaC16H27ClN2O
Molecular Weight298.86 g/mol
Exact Mass298.18
IUPAC Name3-amino-N-(2-ethylbutyl)-2-methyl-3-phenylpropanamide;hydrochloride
SMILESCCC(CC)CNC(=O)C(C)C(N)c1ccccc1.Cl
InChIInChI=1S/C16H26N2O.ClH/c1-4-13(5-2)11-18-16(19)12(3)15(17)14-9-7-6-8-10-14;/h6-10,12-13,15H,4-5,11,17H2,1-3H3,(H,18,19);1H
InChIKeyJMXNKTGWGOLVFH-UHFFFAOYSA-N
XLogP3.30
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.86
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[2-(dimethylamino)propyl]-2-methyl-3-phenylpropanamide;dihydrochloride
CID 119861809
3-amino-N-(2-hydroxypropyl)-2-methyl-3-phenylpropanamide
CID 80551917
3-amino-N-butan-2-yl-2-methyl-3-phenylpropanamide;hydrochloride
CID 119669598
3-amino-N-(3-amino-2-hydroxy-3-oxopropyl)-2-methyl-3-phenylpropanamide
CID 106175749
5-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-4-methylpentanoic acid
CID 82014367
3-amino-2-methyl-3-phenyl-N-(1-phenylethyl)propanamide;hydrochloride
CID 119669700
N-(3-acetamidopropyl)-3-amino-2-methyl-3-phenylpropanamide;hydrochloride
CID 119725929
3-amino-N-(1-methoxybutan-2-yl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119706806
3-amino-N-[2-(4-chlorophenoxy)propyl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119804636
3-amino-2-methyl-N-(2-methyl-3-phenylmethoxypropyl)-3-phenylpropanamide;hydrochloride
CID 119750650
3-amino-2-methyl-3-phenyl-N-prop-2-enylpropanamide
CID 80551795
4-[(3-amino-2-methyl-3-phenylpropanoyl)amino]butanoic acid
CID 80552213

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-ethylbutyl)-2-methyl-3-phenylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-(2-ethylbutyl)-2-methyl-3-phenylpropanamide;hydrochloride (CID 119706690) is 3-amino-N-(2-ethylbutyl)-2-methyl-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(2-ethylbutyl)-2-methyl-3-phenylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-(2-ethylbutyl)-2-methyl-3-phenylpropanamide;hydrochloride is CCC(CC)CNC(=O)C(C)C(N)c1ccccc1.Cl.
What is the InChIKey of 3-amino-N-(2-ethylbutyl)-2-methyl-3-phenylpropanamide;hydrochloride?
The InChIKey is JMXNKTGWGOLVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O.ClH/c1-4-13(5-2)11-18-16(19)12(3)15(17)14-9-7-6-8-10-14;/h6-10,12-13,15H,4-5,11,17H2,1-3H3,(H,18,19);1H.
What are the key properties of 3-amino-N-(2-ethylbutyl)-2-methyl-3-phenylpropanamide;hydrochloride?
3-amino-N-(2-ethylbutyl)-2-methyl-3-phenylpropanamide;hydrochloride has a molecular weight of 298.86 g/mol, XLogP of 3.30, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-ethylbutyl)-2-methyl-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119706690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).