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

C17H20N2O2 — CID 68649669

IUPAC2-amino-3-methoxy-N-[(4-phenylphenyl)methyl]propanamide
SMILESCOCC(N)C(=O)NCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H20N2O2/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)
InChIKeyNOLJETVAMTWOFQ-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.94
Rot. Bonds6

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

2-amino-3-methoxy-N-[(4-phenylphenyl)methyl]propanamide (PubChem CID 68649669) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-amino-3-methoxy-N-[(4-phenylphenyl)methyl]propanamide.

Molecular Properties

Compound Name2-amino-3-methoxy-N-[(4-phenylphenyl)methyl]propanamide
PubChem CID68649669
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name2-amino-3-methoxy-N-[(4-phenylphenyl)methyl]propanamide
SMILESCOCC(N)C(=O)NCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H20N2O2/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)
InChIKeyNOLJETVAMTWOFQ-UHFFFAOYSA-N
XLogP1.94
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-methoxy-N-[(4-phenylphenyl)methyl]propanamide;hydrochloride
CID 68649668
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?
The IUPAC name of 2-amino-3-methoxy-N-[(4-phenylphenyl)methyl]propanamide (CID 68649669) is 2-amino-3-methoxy-N-[(4-phenylphenyl)methyl]propanamide.
What is the SMILES notation for 2-amino-3-methoxy-N-[(4-phenylphenyl)methyl]propanamide?
The canonical SMILES for 2-amino-3-methoxy-N-[(4-phenylphenyl)methyl]propanamide is COCC(N)C(=O)NCc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-amino-3-methoxy-N-[(4-phenylphenyl)methyl]propanamide?
The InChIKey is NOLJETVAMTWOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/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).
What are the key properties of 2-amino-3-methoxy-N-[(4-phenylphenyl)methyl]propanamide?
2-amino-3-methoxy-N-[(4-phenylphenyl)methyl]propanamide has a molecular weight of 284.36 g/mol, XLogP of 1.94, 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 is sourced from PubChem (CID 68649669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).