2-amino-N-[2-(dimethylamino)-2-phenylethyl]-3-phenylpropanamide;dihydrochloride

C19H27Cl2N3O — CID 119828732

IUPAC2-amino-N-[2-(dimethylamino)-2-phenylethyl]-3-phenylpropanamide;dihydrochloride
SMILESCN(C)C(CNC(=O)C(N)Cc1ccccc1)c1ccccc1.Cl.Cl
InChIInChI=1S/C19H25N3O.2ClH/c1-22(2)18(16-11-7-4-8-12-16)14-21-19(23)17(20)13-15-9-5-3-6-10-15;;/h3-12,17-18H,13-14,20H2,1-2H3,(H,21,23);2*1H
InChIKeyYPGXMORPTLJERM-UHFFFAOYSA-N
MW384.35 g/mol
LogP2.82
Rot. Bonds7

About 2-amino-N-[2-(dimethylamino)-2-phenylethyl]-3-phenylpropanamide;dihydrochloride

2-amino-N-[2-(dimethylamino)-2-phenylethyl]-3-phenylpropanamide;dihydrochloride (PubChem CID 119828732) has the molecular formula C19H27Cl2N3O and a molecular weight of 384.35 g/mol. Its IUPAC name is 2-amino-N-[2-(dimethylamino)-2-phenylethyl]-3-phenylpropanamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[2-(dimethylamino)-2-phenylethyl]-3-phenylpropanamide;dihydrochloride
PubChem CID119828732
Molecular FormulaC19H27Cl2N3O
Molecular Weight384.35 g/mol
Exact Mass383.15
IUPAC Name2-amino-N-[2-(dimethylamino)-2-phenylethyl]-3-phenylpropanamide;dihydrochloride
SMILESCN(C)C(CNC(=O)C(N)Cc1ccccc1)c1ccccc1.Cl.Cl
InChIInChI=1S/C19H25N3O.2ClH/c1-22(2)18(16-11-7-4-8-12-16)14-21-19(23)17(20)13-15-9-5-3-6-10-15;;/h3-12,17-18H,13-14,20H2,1-2H3,(H,21,23);2*1H
InChIKeyYPGXMORPTLJERM-UHFFFAOYSA-N
XLogP2.82
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.35
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(3-methyl-2-phenylbutyl)-3-phenylpropanamide;hydrochloride
CID 119294110
(2S)-2-amino-N-[2-(dimethylamino)-4-methylpentyl]-3-phenylpropanamide
CID 61274682
2-amino-N-(2-hydroxypropyl)-3-phenylpropanamide
CID 43500101
2-amino-N-ethyl-3-phenylpropanamide;hydrochloride
CID 53409094
2-amino-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-3-phenylpropanamide;dihydrochloride
CID 119849739
(2R)-2-amino-N-(2,3-dimethylbutyl)-3-phenylpropanamide
CID 78996657
(2S)-2-amino-3-phenyl-N-(2-phenylethyl)propanamide;hydrochloride
CID 21308260
(2R)-2-amino-N-(2-hydroxy-3-methylbutyl)-3-phenylpropanamide
CID 113492232
2-amino-N-(2-methylbutyl)-3-phenylpropanamide
CID 55108121
2-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-phenylpropanamide;dihydrochloride
CID 119835445
2-amino-N-[2-(diethylamino)-3-phenylpropyl]-3-phenylpropanamide
CID 119849948
2-amino-3-phenyl-N-(1-phenylethyl)propanamide
CID 24709310

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(dimethylamino)-2-phenylethyl]-3-phenylpropanamide;dihydrochloride?
The IUPAC name of 2-amino-N-[2-(dimethylamino)-2-phenylethyl]-3-phenylpropanamide;dihydrochloride (CID 119828732) is 2-amino-N-[2-(dimethylamino)-2-phenylethyl]-3-phenylpropanamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[2-(dimethylamino)-2-phenylethyl]-3-phenylpropanamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[2-(dimethylamino)-2-phenylethyl]-3-phenylpropanamide;dihydrochloride is CN(C)C(CNC(=O)C(N)Cc1ccccc1)c1ccccc1.Cl.Cl.
What is the InChIKey of 2-amino-N-[2-(dimethylamino)-2-phenylethyl]-3-phenylpropanamide;dihydrochloride?
The InChIKey is YPGXMORPTLJERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O.2ClH/c1-22(2)18(16-11-7-4-8-12-16)14-21-19(23)17(20)13-15-9-5-3-6-10-15;;/h3-12,17-18H,13-14,20H2,1-2H3,(H,21,23);2*1H.
What are the key properties of 2-amino-N-[2-(dimethylamino)-2-phenylethyl]-3-phenylpropanamide;dihydrochloride?
2-amino-N-[2-(dimethylamino)-2-phenylethyl]-3-phenylpropanamide;dihydrochloride has a molecular weight of 384.35 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(dimethylamino)-2-phenylethyl]-3-phenylpropanamide;dihydrochloride is sourced from PubChem (CID 119828732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).