N-[2-(4-methoxyphenyl)ethyl]-6-methyl-4-oxochromene-2-carboxamide

C20H19NO4 — CID 9262818

IUPACN-[2-(4-methoxyphenyl)ethyl]-6-methyl-4-oxochromene-2-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cc(=O)c3cc(C)ccc3o2)cc1
InChIInChI=1S/C20H19NO4/c1-13-3-8-18-16(11-13)17(22)12-19(25-18)20(23)21-10-9-14-4-6-15(24-2)7-5-14/h3-8,11-12H,9-10H2,1-2H3,(H,21,23)
InChIKeyWUSTWGBHQOTUDR-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.08
Rot. Bonds5

About N-[2-(4-methoxyphenyl)ethyl]-6-methyl-4-oxochromene-2-carboxamide

N-[2-(4-methoxyphenyl)ethyl]-6-methyl-4-oxochromene-2-carboxamide (PubChem CID 9262818) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-6-methyl-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-6-methyl-4-oxochromene-2-carboxamide
PubChem CID9262818
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-6-methyl-4-oxochromene-2-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cc(=O)c3cc(C)ccc3o2)cc1
InChIInChI=1S/C20H19NO4/c1-13-3-8-18-16(11-13)17(22)12-19(25-18)20(23)21-10-9-14-4-6-15(24-2)7-5-14/h3-8,11-12H,9-10H2,1-2H3,(H,21,23)
InChIKeyWUSTWGBHQOTUDR-UHFFFAOYSA-N
XLogP3.08
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 ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-6-methyl-4-oxochromene-2-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-6-methyl-4-oxochromene-2-carboxamide (CID 9262818) is N-[2-(4-methoxyphenyl)ethyl]-6-methyl-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-6-methyl-4-oxochromene-2-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-6-methyl-4-oxochromene-2-carboxamide is COc1ccc(CCNC(=O)c2cc(=O)c3cc(C)ccc3o2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-6-methyl-4-oxochromene-2-carboxamide?
The InChIKey is WUSTWGBHQOTUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4/c1-13-3-8-18-16(11-13)17(22)12-19(25-18)20(23)21-10-9-14-4-6-15(24-2)7-5-14/h3-8,11-12H,9-10H2,1-2H3,(H,21,23).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-6-methyl-4-oxochromene-2-carboxamide?
N-[2-(4-methoxyphenyl)ethyl]-6-methyl-4-oxochromene-2-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-6-methyl-4-oxochromene-2-carboxamide is sourced from PubChem (CID 9262818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).