(2S)-2-(3-methoxyphenoxy)-N-[(1R)-1-(4-methoxyphenyl)ethyl]propanamide

C19H23NO4 — CID 93486457

IUPAC(2S)-2-(3-methoxyphenoxy)-N-[(1R)-1-(4-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2cccc(OC)c2)cc1
InChIInChI=1S/C19H23NO4/c1-13(15-8-10-16(22-3)11-9-15)20-19(21)14(2)24-18-7-5-6-17(12-18)23-4/h5-14H,1-4H3,(H,20,21)/t13-,14+/m1/s1
InChIKeyLNENSZAYXHTWTG-KGLIPLIRSA-N
MW329.40 g/mol
LogP3.35
Rot. Bonds7

About (2S)-2-(3-methoxyphenoxy)-N-[(1R)-1-(4-methoxyphenyl)ethyl]propanamide

(2S)-2-(3-methoxyphenoxy)-N-[(1R)-1-(4-methoxyphenyl)ethyl]propanamide (PubChem CID 93486457) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is (2S)-2-(3-methoxyphenoxy)-N-[(1R)-1-(4-methoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(3-methoxyphenoxy)-N-[(1R)-1-(4-methoxyphenyl)ethyl]propanamide
PubChem CID93486457
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Name(2S)-2-(3-methoxyphenoxy)-N-[(1R)-1-(4-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2cccc(OC)c2)cc1
InChIInChI=1S/C19H23NO4/c1-13(15-8-10-16(22-3)11-9-15)20-19(21)14(2)24-18-7-5-6-17(12-18)23-4/h5-14H,1-4H3,(H,20,21)/t13-,14+/m1/s1
InChIKeyLNENSZAYXHTWTG-KGLIPLIRSA-N
XLogP3.35
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-methoxyphenoxy)-N-[(1R)-1-(4-methoxyphenyl)ethyl]propanamide?
The IUPAC name of (2S)-2-(3-methoxyphenoxy)-N-[(1R)-1-(4-methoxyphenyl)ethyl]propanamide (CID 93486457) is (2S)-2-(3-methoxyphenoxy)-N-[(1R)-1-(4-methoxyphenyl)ethyl]propanamide.
What is the SMILES notation for (2S)-2-(3-methoxyphenoxy)-N-[(1R)-1-(4-methoxyphenyl)ethyl]propanamide?
The canonical SMILES for (2S)-2-(3-methoxyphenoxy)-N-[(1R)-1-(4-methoxyphenyl)ethyl]propanamide is COc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2cccc(OC)c2)cc1.
What is the InChIKey of (2S)-2-(3-methoxyphenoxy)-N-[(1R)-1-(4-methoxyphenyl)ethyl]propanamide?
The InChIKey is LNENSZAYXHTWTG-KGLIPLIRSA-N. The full InChI is InChI=1S/C19H23NO4/c1-13(15-8-10-16(22-3)11-9-15)20-19(21)14(2)24-18-7-5-6-17(12-18)23-4/h5-14H,1-4H3,(H,20,21)/t13-,14+/m1/s1.
What are the key properties of (2S)-2-(3-methoxyphenoxy)-N-[(1R)-1-(4-methoxyphenyl)ethyl]propanamide?
(2S)-2-(3-methoxyphenoxy)-N-[(1R)-1-(4-methoxyphenyl)ethyl]propanamide has a molecular weight of 329.40 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-methoxyphenoxy)-N-[(1R)-1-(4-methoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 93486457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).