(2S)-N-[(4-methoxyphenyl)methyl]-2-phenoxypropanamide

C17H19NO3 — CID 831480

IUPAC(2S)-N-[(4-methoxyphenyl)methyl]-2-phenoxypropanamide
SMILESCOc1ccc(CNC(=O)[C@H](C)Oc2ccccc2)cc1
InChIInChI=1S/C17H19NO3/c1-13(21-16-6-4-3-5-7-16)17(19)18-12-14-8-10-15(20-2)11-9-14/h3-11,13H,12H2,1-2H3,(H,18,19)/t13-/m0/s1
InChIKeyBQKWZWRCXUBEEK-ZDUSSCGKSA-N
MW285.34 g/mol
LogP2.78
Rot. Bonds6

About (2S)-N-[(4-methoxyphenyl)methyl]-2-phenoxypropanamide

(2S)-N-[(4-methoxyphenyl)methyl]-2-phenoxypropanamide (PubChem CID 831480) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is (2S)-N-[(4-methoxyphenyl)methyl]-2-phenoxypropanamide.

Molecular Properties

Compound Name(2S)-N-[(4-methoxyphenyl)methyl]-2-phenoxypropanamide
PubChem CID831480
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name(2S)-N-[(4-methoxyphenyl)methyl]-2-phenoxypropanamide
SMILESCOc1ccc(CNC(=O)[C@H](C)Oc2ccccc2)cc1
InChIInChI=1S/C17H19NO3/c1-13(21-16-6-4-3-5-7-16)17(19)18-12-14-8-10-15(20-2)11-9-14/h3-11,13H,12H2,1-2H3,(H,18,19)/t13-/m0/s1
InChIKeyBQKWZWRCXUBEEK-ZDUSSCGKSA-N
XLogP2.78
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-N-[(4-methoxyphenyl)methyl]-2-phenoxypropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-phenoxy-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 93234508
2-(4-methoxyphenoxy)-N-[(4-methylphenyl)methyl]propanamide
CID 42892656
(2S)-2-(4-chlorophenoxy)-N-[(4-methoxyphenyl)methyl]propanamide
CID 2711643
(2R)-N-[(4-methylphenyl)methyl]-2-phenoxypropanamide
CID 670065
(2R)-2-(3-fluorophenoxy)-N-[(4-methoxyphenyl)methyl]propanamide
CID 7834533
N-[(4-methoxyphenyl)methyl]-2-phenoxy-2-phenylacetamide
CID 46484867
(2S)-2-phenoxy-N-(pyridin-4-ylmethyl)propanamide
CID 670240
(2S)-N-benzyl-2-(4-propan-2-ylphenoxy)propanamide
CID 9239248
(2R)-2-(2-fluorophenoxy)-N-[(4-methoxyphenyl)methyl]propanamide
CID 7892059
2-(4-methylphenoxy)-N-[(4-methylphenyl)methyl]propanamide
CID 4221032
[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-phenoxyacetate
CID 7696924
N-[(3-methoxyphenyl)methyl]-2-naphthalen-2-yloxypropanamide
CID 53282955

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(4-methoxyphenyl)methyl]-2-phenoxypropanamide?
The IUPAC name of (2S)-N-[(4-methoxyphenyl)methyl]-2-phenoxypropanamide (CID 831480) is (2S)-N-[(4-methoxyphenyl)methyl]-2-phenoxypropanamide.
What is the SMILES notation for (2S)-N-[(4-methoxyphenyl)methyl]-2-phenoxypropanamide?
The canonical SMILES for (2S)-N-[(4-methoxyphenyl)methyl]-2-phenoxypropanamide is COc1ccc(CNC(=O)[C@H](C)Oc2ccccc2)cc1.
What is the InChIKey of (2S)-N-[(4-methoxyphenyl)methyl]-2-phenoxypropanamide?
The InChIKey is BQKWZWRCXUBEEK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H19NO3/c1-13(21-16-6-4-3-5-7-16)17(19)18-12-14-8-10-15(20-2)11-9-14/h3-11,13H,12H2,1-2H3,(H,18,19)/t13-/m0/s1.
What are the key properties of (2S)-N-[(4-methoxyphenyl)methyl]-2-phenoxypropanamide?
(2S)-N-[(4-methoxyphenyl)methyl]-2-phenoxypropanamide has a molecular weight of 285.34 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(4-methoxyphenyl)methyl]-2-phenoxypropanamide is sourced from PubChem (CID 831480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).