(2S)-N-(4-ethoxy-3-methoxyphenyl)-2-(3-methylphenoxy)propanamide

C19H23NO4 — CID 39729674

IUPAC(2S)-N-(4-ethoxy-3-methoxyphenyl)-2-(3-methylphenoxy)propanamide
SMILESCCOc1ccc(NC(=O)[C@H](C)Oc2cccc(C)c2)cc1OC
InChIInChI=1S/C19H23NO4/c1-5-23-17-10-9-15(12-18(17)22-4)20-19(21)14(3)24-16-8-6-7-13(2)11-16/h6-12,14H,5H2,1-4H3,(H,20,21)/t14-/m0/s1
InChIKeyKIXHKHRQYRSRKL-AWEZNQCLSA-N
MW329.40 g/mol
LogP3.81
Rot. Bonds7

About (2S)-N-(4-ethoxy-3-methoxyphenyl)-2-(3-methylphenoxy)propanamide

(2S)-N-(4-ethoxy-3-methoxyphenyl)-2-(3-methylphenoxy)propanamide (PubChem CID 39729674) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is (2S)-N-(4-ethoxy-3-methoxyphenyl)-2-(3-methylphenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-(4-ethoxy-3-methoxyphenyl)-2-(3-methylphenoxy)propanamide
PubChem CID39729674
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Name(2S)-N-(4-ethoxy-3-methoxyphenyl)-2-(3-methylphenoxy)propanamide
SMILESCCOc1ccc(NC(=O)[C@H](C)Oc2cccc(C)c2)cc1OC
InChIInChI=1S/C19H23NO4/c1-5-23-17-10-9-15(12-18(17)22-4)20-19(21)14(3)24-16-8-6-7-13(2)11-16/h6-12,14H,5H2,1-4H3,(H,20,21)/t14-/m0/s1
InChIKeyKIXHKHRQYRSRKL-AWEZNQCLSA-N
XLogP3.81
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 ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-ethoxyphenyl)-2-(3-methylphenoxy)propanamide
CID 17098138
N-(3,4-dimethoxyphenyl)-2-(3,5-dimethylphenoxy)propanamide
CID 24511211
(2R)-N-(5-acetamido-2-methoxyphenyl)-2-(3-methylphenoxy)propanamide
CID 8873735
[(2R)-1-(3-methylanilino)-1-oxopropan-2-yl] 4-ethoxy-3-methoxybenzoate
CID 7811489
(2R)-2-(3-methylphenoxy)-N-(3-methylphenyl)propanamide
CID 7946484
2-(3-methylphenoxy)-N-(3-methylphenyl)propanamide
CID 4931056
N-(3,4-dimethoxyphenyl)-2-(3-fluorophenoxy)propanamide
CID 51233943
[(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] (2S)-2-(3-methylphenoxy)propanoate
CID 8737849
2-chloro-N-(4-ethoxy-3-methoxyphenyl)propanamide
CID 43346919
(2S)-N-(3,5-dimethylphenyl)-2-(3-methylphenoxy)propanamide
CID 2168120
(2S)-2-(3-methylphenoxy)-N-(4-propan-2-yloxyphenyl)propanamide
CID 40771480
N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-2-(3-propan-2-ylphenoxy)propanamide
CID 55796411

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-ethoxy-3-methoxyphenyl)-2-(3-methylphenoxy)propanamide?
The IUPAC name of (2S)-N-(4-ethoxy-3-methoxyphenyl)-2-(3-methylphenoxy)propanamide (CID 39729674) is (2S)-N-(4-ethoxy-3-methoxyphenyl)-2-(3-methylphenoxy)propanamide.
What is the SMILES notation for (2S)-N-(4-ethoxy-3-methoxyphenyl)-2-(3-methylphenoxy)propanamide?
The canonical SMILES for (2S)-N-(4-ethoxy-3-methoxyphenyl)-2-(3-methylphenoxy)propanamide is CCOc1ccc(NC(=O)[C@H](C)Oc2cccc(C)c2)cc1OC.
What is the InChIKey of (2S)-N-(4-ethoxy-3-methoxyphenyl)-2-(3-methylphenoxy)propanamide?
The InChIKey is KIXHKHRQYRSRKL-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H23NO4/c1-5-23-17-10-9-15(12-18(17)22-4)20-19(21)14(3)24-16-8-6-7-13(2)11-16/h6-12,14H,5H2,1-4H3,(H,20,21)/t14-/m0/s1.
What are the key properties of (2S)-N-(4-ethoxy-3-methoxyphenyl)-2-(3-methylphenoxy)propanamide?
(2S)-N-(4-ethoxy-3-methoxyphenyl)-2-(3-methylphenoxy)propanamide has a molecular weight of 329.40 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-ethoxy-3-methoxyphenyl)-2-(3-methylphenoxy)propanamide is sourced from PubChem (CID 39729674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).