(2S)-N-[(3-methylphenyl)methyl]-2-phenoxypropanamide

C17H19NO2 — CID 38295049

IUPAC(2S)-N-[(3-methylphenyl)methyl]-2-phenoxypropanamide
SMILESCc1cccc(CNC(=O)[C@H](C)Oc2ccccc2)c1
InChIInChI=1S/C17H19NO2/c1-13-7-6-8-15(11-13)12-18-17(19)14(2)20-16-9-4-3-5-10-16/h3-11,14H,12H2,1-2H3,(H,18,19)/t14-/m0/s1
InChIKeyWOODQGJGSQKXOR-AWEZNQCLSA-N
MW269.34 g/mol
LogP3.08
Rot. Bonds5

About (2S)-N-[(3-methylphenyl)methyl]-2-phenoxypropanamide

(2S)-N-[(3-methylphenyl)methyl]-2-phenoxypropanamide (PubChem CID 38295049) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is (2S)-N-[(3-methylphenyl)methyl]-2-phenoxypropanamide.

Molecular Properties

Compound Name(2S)-N-[(3-methylphenyl)methyl]-2-phenoxypropanamide
PubChem CID38295049
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name(2S)-N-[(3-methylphenyl)methyl]-2-phenoxypropanamide
SMILESCc1cccc(CNC(=O)[C@H](C)Oc2ccccc2)c1
InChIInChI=1S/C17H19NO2/c1-13-7-6-8-15(11-13)12-18-17(19)14(2)20-16-9-4-3-5-10-16/h3-11,14H,12H2,1-2H3,(H,18,19)/t14-/m0/s1
InChIKeyWOODQGJGSQKXOR-AWEZNQCLSA-N
XLogP3.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(3,5-dimethylphenoxy)-N-[(3-methylphenyl)methyl]propanamide
CID 99132130
(2R)-2-(4-bromophenoxy)-N-[(3-methylphenyl)methyl]propanamide
CID 33278800
(2R)-N-[(4-methylphenyl)methyl]-2-phenoxypropanamide
CID 670065
(2R)-N-[(3-ethoxyphenyl)methyl]-2-phenoxypropanamide
CID 94184628
N-[[2-(hydroxymethyl)phenyl]methyl]-2-(3-methylphenoxy)propanamide
CID 110909100
N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-2-(3-methylphenoxy)propanamide
CID 55690197
N-benzyl-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 109388625
2-(3-methylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 21366996
2-(2,5-dimethylphenoxy)-N-[(3-methylphenyl)methyl]propanamide
CID 53282908
2-(3-methylphenoxy)-N-(naphthalen-1-ylmethyl)propanamide
CID 133218956
N-[(3-bromophenyl)methyl]-2-(4-methylphenoxy)propanamide
CID 75871684
(2S)-2-naphthalen-2-yloxy-N-[(3-propan-2-yloxyphenyl)methyl]propanamide
CID 99131030

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(3-methylphenyl)methyl]-2-phenoxypropanamide?
The IUPAC name of (2S)-N-[(3-methylphenyl)methyl]-2-phenoxypropanamide (CID 38295049) is (2S)-N-[(3-methylphenyl)methyl]-2-phenoxypropanamide.
What is the SMILES notation for (2S)-N-[(3-methylphenyl)methyl]-2-phenoxypropanamide?
The canonical SMILES for (2S)-N-[(3-methylphenyl)methyl]-2-phenoxypropanamide is Cc1cccc(CNC(=O)[C@H](C)Oc2ccccc2)c1.
What is the InChIKey of (2S)-N-[(3-methylphenyl)methyl]-2-phenoxypropanamide?
The InChIKey is WOODQGJGSQKXOR-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H19NO2/c1-13-7-6-8-15(11-13)12-18-17(19)14(2)20-16-9-4-3-5-10-16/h3-11,14H,12H2,1-2H3,(H,18,19)/t14-/m0/s1.
What are the key properties of (2S)-N-[(3-methylphenyl)methyl]-2-phenoxypropanamide?
(2S)-N-[(3-methylphenyl)methyl]-2-phenoxypropanamide has a molecular weight of 269.34 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(3-methylphenyl)methyl]-2-phenoxypropanamide is sourced from PubChem (CID 38295049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).