N-(3,5-dimethoxyphenyl)-2-oxochromene-3-carboxamide

C18H15NO5 — CID 781371

IUPACN-(3,5-dimethoxyphenyl)-2-oxochromene-3-carboxamide
SMILESCOc1cc(NC(=O)c2cc3ccccc3oc2=O)cc(OC)c1
InChIInChI=1S/C18H15NO5/c1-22-13-8-12(9-14(10-13)23-2)19-17(20)15-7-11-5-3-4-6-16(11)24-18(15)21/h3-10H,1-2H3,(H,19,20)
InChIKeyTWWGQNUHZRYDKK-UHFFFAOYSA-N
MW325.32 g/mol
LogP3.06
Rot. Bonds4

About N-(3,5-dimethoxyphenyl)-2-oxochromene-3-carboxamide

N-(3,5-dimethoxyphenyl)-2-oxochromene-3-carboxamide (PubChem CID 781371) has the molecular formula C18H15NO5 and a molecular weight of 325.32 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-2-oxochromene-3-carboxamide
PubChem CID781371
Molecular FormulaC18H15NO5
Molecular Weight325.32 g/mol
Exact Mass325.10
IUPAC NameN-(3,5-dimethoxyphenyl)-2-oxochromene-3-carboxamide
SMILESCOc1cc(NC(=O)c2cc3ccccc3oc2=O)cc(OC)c1
InChIInChI=1S/C18H15NO5/c1-22-13-8-12(9-14(10-13)23-2)19-17(20)15-7-11-5-3-4-6-16(11)24-18(15)21/h3-10H,1-2H3,(H,19,20)
InChIKeyTWWGQNUHZRYDKK-UHFFFAOYSA-N
XLogP3.06
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(3,5-dimethoxyphenyl)-2-oxochromene-3-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-(3,5-dimethoxyphenyl)-2-oxochromene-3-carboxamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-2-oxochromene-3-carboxamide (CID 781371) is N-(3,5-dimethoxyphenyl)-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-2-oxochromene-3-carboxamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-2-oxochromene-3-carboxamide is COc1cc(NC(=O)c2cc3ccccc3oc2=O)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-2-oxochromene-3-carboxamide?
The InChIKey is TWWGQNUHZRYDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO5/c1-22-13-8-12(9-14(10-13)23-2)19-17(20)15-7-11-5-3-4-6-16(11)24-18(15)21/h3-10H,1-2H3,(H,19,20).
What are the key properties of N-(3,5-dimethoxyphenyl)-2-oxochromene-3-carboxamide?
N-(3,5-dimethoxyphenyl)-2-oxochromene-3-carboxamide has a molecular weight of 325.32 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-2-oxochromene-3-carboxamide is sourced from PubChem (CID 781371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).