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

C18H15NO3 — CID 746127

IUPACN-(2-ethylphenyl)-4-oxochromene-2-carboxamide
SMILESCCc1ccccc1NC(=O)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C18H15NO3/c1-2-12-7-3-5-9-14(12)19-18(21)17-11-15(20)13-8-4-6-10-16(13)22-17/h3-11H,2H2,1H3,(H,19,21)
InChIKeyXYTDQVALAZLQRT-UHFFFAOYSA-N
MW293.32 g/mol
LogP3.61
Rot. Bonds3

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

N-(2-ethylphenyl)-4-oxochromene-2-carboxamide (PubChem CID 746127) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is N-(2-ethylphenyl)-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-4-oxochromene-2-carboxamide
PubChem CID746127
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC NameN-(2-ethylphenyl)-4-oxochromene-2-carboxamide
SMILESCCc1ccccc1NC(=O)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C18H15NO3/c1-2-12-7-3-5-9-14(12)19-18(21)17-11-15(20)13-8-4-6-10-16(13)22-17/h3-11H,2H2,1H3,(H,19,21)
InChIKeyXYTDQVALAZLQRT-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

Analyze N-(2-ethylphenyl)-4-oxochromene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-4-oxochromene-2-carboxamide?
The IUPAC name of N-(2-ethylphenyl)-4-oxochromene-2-carboxamide (CID 746127) is N-(2-ethylphenyl)-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-(2-ethylphenyl)-4-oxochromene-2-carboxamide?
The canonical SMILES for N-(2-ethylphenyl)-4-oxochromene-2-carboxamide is CCc1ccccc1NC(=O)c1cc(=O)c2ccccc2o1.
What is the InChIKey of N-(2-ethylphenyl)-4-oxochromene-2-carboxamide?
The InChIKey is XYTDQVALAZLQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3/c1-2-12-7-3-5-9-14(12)19-18(21)17-11-15(20)13-8-4-6-10-16(13)22-17/h3-11H,2H2,1H3,(H,19,21).
What are the key properties of N-(2-ethylphenyl)-4-oxochromene-2-carboxamide?
N-(2-ethylphenyl)-4-oxochromene-2-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-(2-ethylphenyl)-4-oxochromene-2-carboxamide is sourced from PubChem (CID 746127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).