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

C20H27ClN2O — CID 119294110

IUPAC2-amino-N-(3-methyl-2-phenylbutyl)-3-phenylpropanamide;hydrochloride
SMILESCC(C)C(CNC(=O)C(N)Cc1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C20H26N2O.ClH/c1-15(2)18(17-11-7-4-8-12-17)14-22-20(23)19(21)13-16-9-5-3-6-10-16;/h3-12,15,18-19H,13-14,21H2,1-2H3,(H,22,23);1H
InChIKeyJWDALGCNXMXILD-UHFFFAOYSA-N
MW346.90 g/mol
LogP3.53
Rot. Bonds7

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

2-amino-N-(3-methyl-2-phenylbutyl)-3-phenylpropanamide;hydrochloride (PubChem CID 119294110) has the molecular formula C20H27ClN2O and a molecular weight of 346.90 g/mol. Its IUPAC name is 2-amino-N-(3-methyl-2-phenylbutyl)-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(3-methyl-2-phenylbutyl)-3-phenylpropanamide;hydrochloride
PubChem CID119294110
Molecular FormulaC20H27ClN2O
Molecular Weight346.90 g/mol
Exact Mass346.18
IUPAC Name2-amino-N-(3-methyl-2-phenylbutyl)-3-phenylpropanamide;hydrochloride
SMILESCC(C)C(CNC(=O)C(N)Cc1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C20H26N2O.ClH/c1-15(2)18(17-11-7-4-8-12-17)14-22-20(23)19(21)13-16-9-5-3-6-10-16;/h3-12,15,18-19H,13-14,21H2,1-2H3,(H,22,23);1H
InChIKeyJWDALGCNXMXILD-UHFFFAOYSA-N
XLogP3.53
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.90
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-(2,3-dimethylbutyl)-3-phenylpropanamide
CID 78996657
(2R)-2-amino-N-(2-hydroxy-3-methylbutyl)-3-phenylpropanamide
CID 113492232
2-amino-N-(2-hydroxypropyl)-3-phenylpropanamide
CID 43500101
2-amino-N-[2-(dimethylamino)-2-phenylethyl]-3-phenylpropanamide;dihydrochloride
CID 119828732
2-amino-N-(2-methylbutyl)-3-phenylpropanamide
CID 55108121
2-amino-N-ethyl-3-phenylpropanamide;hydrochloride
CID 53409094
(2S)-2-amino-3-phenyl-N-(2-phenylethyl)propanamide;hydrochloride
CID 21308260
(2R)-2-amino-N-(3-methoxy-2-methylpropyl)-3-phenylpropanamide
CID 78985598
(2S)-2-amino-N-(3-methylbutyl)-3-phenylpropanamide
CID 10399143
2-amino-N-(3-methyl-2-phenylbutyl)acetamide;hydrochloride
CID 119294102
2-amino-3-phenyl-N-(1-phenylethyl)propanamide
CID 24709310
2-methyl-3-(methylamino)-N-(3-methyl-2-phenylbutyl)propanamide
CID 119732056

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-methyl-2-phenylbutyl)-3-phenylpropanamide;hydrochloride?
The IUPAC name of 2-amino-N-(3-methyl-2-phenylbutyl)-3-phenylpropanamide;hydrochloride (CID 119294110) is 2-amino-N-(3-methyl-2-phenylbutyl)-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(3-methyl-2-phenylbutyl)-3-phenylpropanamide;hydrochloride?
The canonical SMILES for 2-amino-N-(3-methyl-2-phenylbutyl)-3-phenylpropanamide;hydrochloride is CC(C)C(CNC(=O)C(N)Cc1ccccc1)c1ccccc1.Cl.
What is the InChIKey of 2-amino-N-(3-methyl-2-phenylbutyl)-3-phenylpropanamide;hydrochloride?
The InChIKey is JWDALGCNXMXILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O.ClH/c1-15(2)18(17-11-7-4-8-12-17)14-22-20(23)19(21)13-16-9-5-3-6-10-16;/h3-12,15,18-19H,13-14,21H2,1-2H3,(H,22,23);1H.
What are the key properties of 2-amino-N-(3-methyl-2-phenylbutyl)-3-phenylpropanamide;hydrochloride?
2-amino-N-(3-methyl-2-phenylbutyl)-3-phenylpropanamide;hydrochloride has a molecular weight of 346.90 g/mol, XLogP of 3.53, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-methyl-2-phenylbutyl)-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119294110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).