N-(3-ethylphenyl)-1-oxoisochromene-4-carboxamide

C18H15NO3 — CID 4183429

IUPACN-(3-ethylphenyl)-1-oxoisochromene-4-carboxamide
SMILESCCc1cccc(NC(=O)c2coc(=O)c3ccccc23)c1
InChIInChI=1S/C18H15NO3/c1-2-12-6-5-7-13(10-12)19-17(20)16-11-22-18(21)15-9-4-3-8-14(15)16/h3-11H,2H2,1H3,(H,19,20)
InChIKeyQXIDHXYIWCHVKR-UHFFFAOYSA-N
MW293.32 g/mol
LogP3.61
Rot. Bonds3

About N-(3-ethylphenyl)-1-oxoisochromene-4-carboxamide

N-(3-ethylphenyl)-1-oxoisochromene-4-carboxamide (PubChem CID 4183429) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is N-(3-ethylphenyl)-1-oxoisochromene-4-carboxamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-1-oxoisochromene-4-carboxamide
PubChem CID4183429
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC NameN-(3-ethylphenyl)-1-oxoisochromene-4-carboxamide
SMILESCCc1cccc(NC(=O)c2coc(=O)c3ccccc23)c1
InChIInChI=1S/C18H15NO3/c1-2-12-6-5-7-13(10-12)19-17(20)16-11-22-18(21)15-9-4-3-8-14(15)16/h3-11H,2H2,1H3,(H,19,20)
InChIKeyQXIDHXYIWCHVKR-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-(3-ethylphenyl)-1-oxoisochromene-4-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-(3-ethylphenyl)-1-oxoisochromene-4-carboxamide?
The IUPAC name of N-(3-ethylphenyl)-1-oxoisochromene-4-carboxamide (CID 4183429) is N-(3-ethylphenyl)-1-oxoisochromene-4-carboxamide.
What is the SMILES notation for N-(3-ethylphenyl)-1-oxoisochromene-4-carboxamide?
The canonical SMILES for N-(3-ethylphenyl)-1-oxoisochromene-4-carboxamide is CCc1cccc(NC(=O)c2coc(=O)c3ccccc23)c1.
What is the InChIKey of N-(3-ethylphenyl)-1-oxoisochromene-4-carboxamide?
The InChIKey is QXIDHXYIWCHVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3/c1-2-12-6-5-7-13(10-12)19-17(20)16-11-22-18(21)15-9-4-3-8-14(15)16/h3-11H,2H2,1H3,(H,19,20).
What are the key properties of N-(3-ethylphenyl)-1-oxoisochromene-4-carboxamide?
N-(3-ethylphenyl)-1-oxoisochromene-4-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-(3-ethylphenyl)-1-oxoisochromene-4-carboxamide is sourced from PubChem (CID 4183429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).