3-amino-N-(2-methoxy-2-phenylethyl)-3-phenylpropanamide;hydrochloride

C18H23ClN2O2 — CID 119949370

IUPAC3-amino-N-(2-methoxy-2-phenylethyl)-3-phenylpropanamide;hydrochloride
SMILESCOC(CNC(=O)CC(N)c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C18H22N2O2.ClH/c1-22-17(15-10-6-3-7-11-15)13-20-18(21)12-16(19)14-8-4-2-5-9-14;/h2-11,16-17H,12-13,19H2,1H3,(H,20,21);1H
InChIKeyKHARBPJXDZFJQX-UHFFFAOYSA-N
MW334.85 g/mol
LogP3.00
Rot. Bonds7

About 3-amino-N-(2-methoxy-2-phenylethyl)-3-phenylpropanamide;hydrochloride

3-amino-N-(2-methoxy-2-phenylethyl)-3-phenylpropanamide;hydrochloride (PubChem CID 119949370) has the molecular formula C18H23ClN2O2 and a molecular weight of 334.85 g/mol. Its IUPAC name is 3-amino-N-(2-methoxy-2-phenylethyl)-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(2-methoxy-2-phenylethyl)-3-phenylpropanamide;hydrochloride
PubChem CID119949370
Molecular FormulaC18H23ClN2O2
Molecular Weight334.85 g/mol
Exact Mass334.14
IUPAC Name3-amino-N-(2-methoxy-2-phenylethyl)-3-phenylpropanamide;hydrochloride
SMILESCOC(CNC(=O)CC(N)c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C18H22N2O2.ClH/c1-22-17(15-10-6-3-7-11-15)13-20-18(21)12-16(19)14-8-4-2-5-9-14;/h2-11,16-17H,12-13,19H2,1H3,(H,20,21);1H
InChIKeyKHARBPJXDZFJQX-UHFFFAOYSA-N
XLogP3.00
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[(3-amino-3-phenylpropanoyl)amino]-2-methylpropanoate
CID 119951074
3-amino-3-phenyl-N-(2-phenylpropyl)propanamide
CID 61253056
3-amino-3-phenyl-N-(2-phenylbutyl)propanamide
CID 119949049
3-amino-N-(2-methylbutyl)-3-phenylpropanamide
CID 62693740
(2S)-2-amino-N-(2-methoxy-2-phenylethyl)-4-methylpentanamide;hydrochloride
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N-(2-amino-2-phenylethyl)-3,4-dimethylpentanamide;hydrochloride
CID 119529641
2-amino-N-(2-methoxy-2-phenylethyl)pentanamide
CID 119278905
3-amino-N-[2-(dimethylamino)-4-methylpentyl]-3-phenylpropanamide;dihydrochloride
CID 119952947
3-amino-N-(2-amino-2-methylpropyl)-3-phenylpropanamide
CID 122080831
N-(2-methoxy-2-phenylethyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119703920
3-amino-N-(4-hydroxy-2-phenylbutyl)-3-phenylpropanamide
CID 119951620
3-[(3-amino-3-phenylpropanoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66175762

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-methoxy-2-phenylethyl)-3-phenylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-(2-methoxy-2-phenylethyl)-3-phenylpropanamide;hydrochloride (CID 119949370) is 3-amino-N-(2-methoxy-2-phenylethyl)-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(2-methoxy-2-phenylethyl)-3-phenylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-(2-methoxy-2-phenylethyl)-3-phenylpropanamide;hydrochloride is COC(CNC(=O)CC(N)c1ccccc1)c1ccccc1.Cl.
What is the InChIKey of 3-amino-N-(2-methoxy-2-phenylethyl)-3-phenylpropanamide;hydrochloride?
The InChIKey is KHARBPJXDZFJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2.ClH/c1-22-17(15-10-6-3-7-11-15)13-20-18(21)12-16(19)14-8-4-2-5-9-14;/h2-11,16-17H,12-13,19H2,1H3,(H,20,21);1H.
What are the key properties of 3-amino-N-(2-methoxy-2-phenylethyl)-3-phenylpropanamide;hydrochloride?
3-amino-N-(2-methoxy-2-phenylethyl)-3-phenylpropanamide;hydrochloride has a molecular weight of 334.85 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-methoxy-2-phenylethyl)-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119949370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).