(2S)-N-(4-ethylphenyl)-2-(2-oxochromen-7-yl)oxypropanamide

C20H19NO4 — CID 7290663

IUPAC(2S)-N-(4-ethylphenyl)-2-(2-oxochromen-7-yl)oxypropanamide
SMILESCCc1ccc(NC(=O)[C@H](C)Oc2ccc3ccc(=O)oc3c2)cc1
InChIInChI=1S/C20H19NO4/c1-3-14-4-8-16(9-5-14)21-20(23)13(2)24-17-10-6-15-7-11-19(22)25-18(15)12-17/h4-13H,3H2,1-2H3,(H,21,23)/t13-/m0/s1
InChIKeyXALJRJKSCYUELC-ZDUSSCGKSA-N
MW337.38 g/mol
LogP3.76
Rot. Bonds5

About (2S)-N-(4-ethylphenyl)-2-(2-oxochromen-7-yl)oxypropanamide

(2S)-N-(4-ethylphenyl)-2-(2-oxochromen-7-yl)oxypropanamide (PubChem CID 7290663) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is (2S)-N-(4-ethylphenyl)-2-(2-oxochromen-7-yl)oxypropanamide.

Molecular Properties

Compound Name(2S)-N-(4-ethylphenyl)-2-(2-oxochromen-7-yl)oxypropanamide
PubChem CID7290663
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Name(2S)-N-(4-ethylphenyl)-2-(2-oxochromen-7-yl)oxypropanamide
SMILESCCc1ccc(NC(=O)[C@H](C)Oc2ccc3ccc(=O)oc3c2)cc1
InChIInChI=1S/C20H19NO4/c1-3-14-4-8-16(9-5-14)21-20(23)13(2)24-17-10-6-15-7-11-19(22)25-18(15)12-17/h4-13H,3H2,1-2H3,(H,21,23)/t13-/m0/s1
InChIKeyXALJRJKSCYUELC-ZDUSSCGKSA-N
XLogP3.76
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(2-oxochromen-7-yl)oxy-N-phenylpropanamide
CID 7564455
(2R)-2-(2-oxochromen-7-yl)oxy-N-[4-(trifluoromethyl)phenyl]propanamide
CID 7564616
2-chloro-N-ethyl-5-[2-(2-oxochromen-7-yl)oxypropanoylamino]benzamide
CID 171915892
N-(4-acetamidophenyl)-2-(4-ethylphenoxy)propanamide
CID 4953258
(2R)-N-[2-(4-fluorophenyl)ethyl]-2-(2-oxochromen-7-yl)oxypropanamide
CID 7564685
(2S)-2-(2-oxochromen-7-yl)oxy-N-(2,3,4-trifluorophenyl)propanamide
CID 7290728
2-(2-oxochromen-7-yl)oxy-N-[3-(trifluoromethyl)phenyl]propanamide
CID 16504652
(2R)-N-carbamoyl-2-(2-oxochromen-7-yl)oxypropanamide
CID 7233690
(2R)-2-(3,5-dimethylphenoxy)-N-(4-ethylphenyl)propanamide
CID 40746967
2-(4-bromophenoxy)-N-(4-ethylphenyl)propanamide
CID 132791420
N-(2,4-dimethylphenyl)-2-(2-oxochromen-7-yl)oxypropanamide
CID 42888911
(2S)-N-(4-ethylphenyl)-2-(4-propanoylphenoxy)propanamide
CID 8604722

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-ethylphenyl)-2-(2-oxochromen-7-yl)oxypropanamide?
The IUPAC name of (2S)-N-(4-ethylphenyl)-2-(2-oxochromen-7-yl)oxypropanamide (CID 7290663) is (2S)-N-(4-ethylphenyl)-2-(2-oxochromen-7-yl)oxypropanamide.
What is the SMILES notation for (2S)-N-(4-ethylphenyl)-2-(2-oxochromen-7-yl)oxypropanamide?
The canonical SMILES for (2S)-N-(4-ethylphenyl)-2-(2-oxochromen-7-yl)oxypropanamide is CCc1ccc(NC(=O)[C@H](C)Oc2ccc3ccc(=O)oc3c2)cc1.
What is the InChIKey of (2S)-N-(4-ethylphenyl)-2-(2-oxochromen-7-yl)oxypropanamide?
The InChIKey is XALJRJKSCYUELC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H19NO4/c1-3-14-4-8-16(9-5-14)21-20(23)13(2)24-17-10-6-15-7-11-19(22)25-18(15)12-17/h4-13H,3H2,1-2H3,(H,21,23)/t13-/m0/s1.
What are the key properties of (2S)-N-(4-ethylphenyl)-2-(2-oxochromen-7-yl)oxypropanamide?
(2S)-N-(4-ethylphenyl)-2-(2-oxochromen-7-yl)oxypropanamide has a molecular weight of 337.38 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-ethylphenyl)-2-(2-oxochromen-7-yl)oxypropanamide is sourced from PubChem (CID 7290663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).