N-(4-ethylphenyl)-2-oxochromene-3-carboxamide

C18H15NO3 — CID 724200

IUPACN-(4-ethylphenyl)-2-oxochromene-3-carboxamide
SMILESCCc1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1
InChIInChI=1S/C18H15NO3/c1-2-12-7-9-14(10-8-12)19-17(20)15-11-13-5-3-4-6-16(13)22-18(15)21/h3-11H,2H2,1H3,(H,19,20)
InChIKeyCCRNXJJERVYHEO-UHFFFAOYSA-N
MW293.32 g/mol
LogP3.61
Rot. Bonds3

About N-(4-ethylphenyl)-2-oxochromene-3-carboxamide

N-(4-ethylphenyl)-2-oxochromene-3-carboxamide (PubChem CID 724200) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-oxochromene-3-carboxamide
PubChem CID724200
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC NameN-(4-ethylphenyl)-2-oxochromene-3-carboxamide
SMILESCCc1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1
InChIInChI=1S/C18H15NO3/c1-2-12-7-9-14(10-8-12)19-17(20)15-11-13-5-3-4-6-16(13)22-18(15)21/h3-11H,2H2,1H3,(H,19,20)
InChIKeyCCRNXJJERVYHEO-UHFFFAOYSA-N
XLogP3.61
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-oxochromene-3-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-2-oxochromene-3-carboxamide (CID 724200) is N-(4-ethylphenyl)-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-oxochromene-3-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-2-oxochromene-3-carboxamide is CCc1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-oxochromene-3-carboxamide?
The InChIKey is CCRNXJJERVYHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3/c1-2-12-7-9-14(10-8-12)19-17(20)15-11-13-5-3-4-6-16(13)22-18(15)21/h3-11H,2H2,1H3,(H,19,20).
What are the key properties of N-(4-ethylphenyl)-2-oxochromene-3-carboxamide?
N-(4-ethylphenyl)-2-oxochromene-3-carboxamide has a molecular weight of 293.32 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-oxochromene-3-carboxamide is sourced from PubChem (CID 724200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).