2-amino-3-methoxy-N-[(4-phenylphenyl)methyl]propanamide;hydrochloride

C17H21ClN2O2 — CID 68649668

IUPAC2-amino-3-methoxy-N-[(4-phenylphenyl)methyl]propanamide;hydrochloride
SMILESCOCC(N)C(=O)NCc1ccc(-c2ccccc2)cc1.Cl
InChIInChI=1S/C17H20N2O2.ClH/c1-21-12-16(18)17(20)19-11-13-7-9-15(10-8-13)14-5-3-2-4-6-14;/h2-10,16H,11-12,18H2,1H3,(H,19,20);1H
InChIKeyUTQJKQMJLSURNE-UHFFFAOYSA-N
MW320.82 g/mol
LogP2.37
Rot. Bonds6

About 2-amino-3-methoxy-N-[(4-phenylphenyl)methyl]propanamide;hydrochloride

2-amino-3-methoxy-N-[(4-phenylphenyl)methyl]propanamide;hydrochloride (PubChem CID 68649668) has the molecular formula C17H21ClN2O2 and a molecular weight of 320.82 g/mol. Its IUPAC name is 2-amino-3-methoxy-N-[(4-phenylphenyl)methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-3-methoxy-N-[(4-phenylphenyl)methyl]propanamide;hydrochloride
PubChem CID68649668
Molecular FormulaC17H21ClN2O2
Molecular Weight320.82 g/mol
Exact Mass320.13
IUPAC Name2-amino-3-methoxy-N-[(4-phenylphenyl)methyl]propanamide;hydrochloride
SMILESCOCC(N)C(=O)NCc1ccc(-c2ccccc2)cc1.Cl
InChIInChI=1S/C17H20N2O2.ClH/c1-21-12-16(18)17(20)19-11-13-7-9-15(10-8-13)14-5-3-2-4-6-14;/h2-10,16H,11-12,18H2,1H3,(H,19,20);1H
InChIKeyUTQJKQMJLSURNE-UHFFFAOYSA-N
XLogP2.37
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-methoxy-N-[(4-phenylphenyl)methyl]propanamide
CID 68649669
2-amino-3-methoxy-N-[[4-(phenoxymethyl)phenyl]methyl]propanamide;hydrochloride
CID 120985987
2-amino-N-[[4-(dimethylamino)phenyl]methyl]-3-methoxypropanamide
CID 81088298
2-amino-3-methoxy-N-[[4-(2-methoxyethoxy)phenyl]methyl]propanamide
CID 120985903
2-[2-[[(2-amino-3-methoxypropanoyl)amino]methyl]phenyl]acetic acid
CID 81317772
2-amino-N-[(4-ethoxyphenyl)methyl]-3-methoxypropanamide
CID 120985316
(2R)-N-benzyl-3-methoxy-2-methylpropanamide
CID 12051861
2-amino-N-benzyl-5-methoxypentanamide
CID 81081027
(2R)-2-amino-3-methoxy-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide;hydrochloride
CID 54757279
2-amino-3-methoxy-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]propanamide
CID 120988848
2-amino-N-[[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]-3-methoxypropanamide
CID 120988039
2-amino-3-methoxy-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]propanamide;hydrochloride
CID 120983886

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methoxy-N-[(4-phenylphenyl)methyl]propanamide;hydrochloride?
The IUPAC name of 2-amino-3-methoxy-N-[(4-phenylphenyl)methyl]propanamide;hydrochloride (CID 68649668) is 2-amino-3-methoxy-N-[(4-phenylphenyl)methyl]propanamide;hydrochloride.
What is the SMILES notation for 2-amino-3-methoxy-N-[(4-phenylphenyl)methyl]propanamide;hydrochloride?
The canonical SMILES for 2-amino-3-methoxy-N-[(4-phenylphenyl)methyl]propanamide;hydrochloride is COCC(N)C(=O)NCc1ccc(-c2ccccc2)cc1.Cl.
What is the InChIKey of 2-amino-3-methoxy-N-[(4-phenylphenyl)methyl]propanamide;hydrochloride?
The InChIKey is UTQJKQMJLSURNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2.ClH/c1-21-12-16(18)17(20)19-11-13-7-9-15(10-8-13)14-5-3-2-4-6-14;/h2-10,16H,11-12,18H2,1H3,(H,19,20);1H.
What are the key properties of 2-amino-3-methoxy-N-[(4-phenylphenyl)methyl]propanamide;hydrochloride?
2-amino-3-methoxy-N-[(4-phenylphenyl)methyl]propanamide;hydrochloride has a molecular weight of 320.82 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methoxy-N-[(4-phenylphenyl)methyl]propanamide;hydrochloride is sourced from PubChem (CID 68649668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).