2-(4-ethylphenoxy)-N-[3-methoxy-4-(2-oxochromen-3-yl)phenyl]acetamide

C26H23NO5 — CID 1207438

IUPAC2-(4-ethylphenoxy)-N-[3-methoxy-4-(2-oxochromen-3-yl)phenyl]acetamide
SMILESCCc1ccc(OCC(=O)Nc2ccc(-c3cc4ccccc4oc3=O)c(OC)c2)cc1
InChIInChI=1S/C26H23NO5/c1-3-17-8-11-20(12-9-17)31-16-25(28)27-19-10-13-21(24(15-19)30-2)22-14-18-6-4-5-7-23(18)32-26(22)29/h4-15H,3,16H2,1-2H3,(H,27,28)
InChIKeyPYKKANJFGGQIGF-UHFFFAOYSA-N
MW429.47 g/mol
LogP5.05
Rot. Bonds7

About 2-(4-ethylphenoxy)-N-[3-methoxy-4-(2-oxochromen-3-yl)phenyl]acetamide

2-(4-ethylphenoxy)-N-[3-methoxy-4-(2-oxochromen-3-yl)phenyl]acetamide (PubChem CID 1207438) has the molecular formula C26H23NO5 and a molecular weight of 429.47 g/mol. Its IUPAC name is 2-(4-ethylphenoxy)-N-[3-methoxy-4-(2-oxochromen-3-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-ethylphenoxy)-N-[3-methoxy-4-(2-oxochromen-3-yl)phenyl]acetamide
PubChem CID1207438
Molecular FormulaC26H23NO5
Molecular Weight429.47 g/mol
Exact Mass429.16
IUPAC Name2-(4-ethylphenoxy)-N-[3-methoxy-4-(2-oxochromen-3-yl)phenyl]acetamide
SMILESCCc1ccc(OCC(=O)Nc2ccc(-c3cc4ccccc4oc3=O)c(OC)c2)cc1
InChIInChI=1S/C26H23NO5/c1-3-17-8-11-20(12-9-17)31-16-25(28)27-19-10-13-21(24(15-19)30-2)22-14-18-6-4-5-7-23(18)32-26(22)29/h4-15H,3,16H2,1-2H3,(H,27,28)
InChIKeyPYKKANJFGGQIGF-UHFFFAOYSA-N
XLogP5.05
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.47
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenoxy)-N-[3-methoxy-4-(2-oxochromen-3-yl)phenyl]acetamide?
The IUPAC name of 2-(4-ethylphenoxy)-N-[3-methoxy-4-(2-oxochromen-3-yl)phenyl]acetamide (CID 1207438) is 2-(4-ethylphenoxy)-N-[3-methoxy-4-(2-oxochromen-3-yl)phenyl]acetamide.
What is the SMILES notation for 2-(4-ethylphenoxy)-N-[3-methoxy-4-(2-oxochromen-3-yl)phenyl]acetamide?
The canonical SMILES for 2-(4-ethylphenoxy)-N-[3-methoxy-4-(2-oxochromen-3-yl)phenyl]acetamide is CCc1ccc(OCC(=O)Nc2ccc(-c3cc4ccccc4oc3=O)c(OC)c2)cc1.
What is the InChIKey of 2-(4-ethylphenoxy)-N-[3-methoxy-4-(2-oxochromen-3-yl)phenyl]acetamide?
The InChIKey is PYKKANJFGGQIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO5/c1-3-17-8-11-20(12-9-17)31-16-25(28)27-19-10-13-21(24(15-19)30-2)22-14-18-6-4-5-7-23(18)32-26(22)29/h4-15H,3,16H2,1-2H3,(H,27,28).
What are the key properties of 2-(4-ethylphenoxy)-N-[3-methoxy-4-(2-oxochromen-3-yl)phenyl]acetamide?
2-(4-ethylphenoxy)-N-[3-methoxy-4-(2-oxochromen-3-yl)phenyl]acetamide has a molecular weight of 429.47 g/mol, XLogP of 5.05, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenoxy)-N-[3-methoxy-4-(2-oxochromen-3-yl)phenyl]acetamide is sourced from PubChem (CID 1207438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).