N-[2-(4-ethoxyphenyl)-4-oxochromen-7-yl]-3-methoxybenzamide

C25H21NO5 — CID 18568882

IUPACN-[2-(4-ethoxyphenyl)-4-oxochromen-7-yl]-3-methoxybenzamide
SMILESCCOc1ccc(-c2cc(=O)c3ccc(NC(=O)c4cccc(OC)c4)cc3o2)cc1
InChIInChI=1S/C25H21NO5/c1-3-30-19-10-7-16(8-11-19)23-15-22(27)21-12-9-18(14-24(21)31-23)26-25(28)17-5-4-6-20(13-17)29-2/h4-15H,3H2,1-2H3,(H,26,28)
InChIKeyQZJIIVGHASQHNY-UHFFFAOYSA-N
MW415.45 g/mol
LogP5.12
Rot. Bonds6

About N-[2-(4-ethoxyphenyl)-4-oxochromen-7-yl]-3-methoxybenzamide

N-[2-(4-ethoxyphenyl)-4-oxochromen-7-yl]-3-methoxybenzamide (PubChem CID 18568882) has the molecular formula C25H21NO5 and a molecular weight of 415.45 g/mol. Its IUPAC name is N-[2-(4-ethoxyphenyl)-4-oxochromen-7-yl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(4-ethoxyphenyl)-4-oxochromen-7-yl]-3-methoxybenzamide
PubChem CID18568882
Molecular FormulaC25H21NO5
Molecular Weight415.45 g/mol
Exact Mass415.14
IUPAC NameN-[2-(4-ethoxyphenyl)-4-oxochromen-7-yl]-3-methoxybenzamide
SMILESCCOc1ccc(-c2cc(=O)c3ccc(NC(=O)c4cccc(OC)c4)cc3o2)cc1
InChIInChI=1S/C25H21NO5/c1-3-30-19-10-7-16(8-11-19)23-15-22(27)21-12-9-18(14-24(21)31-23)26-25(28)17-5-4-6-20(13-17)29-2/h4-15H,3H2,1-2H3,(H,26,28)
InChIKeyQZJIIVGHASQHNY-UHFFFAOYSA-N
XLogP5.12
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.45
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(4-ethoxyphenyl)-4-oxochromen-7-yl]-3-methoxybenzamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-3-phenoxybenzamide
CID 108730638
N-[2-(4-ethoxyphenyl)-4-oxochromen-7-yl]-2,2-dimethylpropanamide
CID 18568864
N-[2-(2-ethoxyphenyl)-4-oxochromen-7-yl]-3,5-dimethoxybenzamide
CID 98476312
N-[2-(2-ethoxyphenyl)-4-oxochromen-7-yl]-4-methoxybenzamide
CID 98476056
4-methoxy-N-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]benzamide
CID 18568776
N-[2-(4-methoxyphenyl)-4-oxochromen-7-yl]thiophene-2-carboxamide
CID 18568866
4-hexoxy-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]benzamide
CID 108754323
3,5-dimethoxy-N-(4-oxo-2-phenylchromen-6-yl)benzamide
CID 18568778
3-[(4-ethoxybenzoyl)amino]-N-(4-methoxyphenyl)benzamide
CID 1228510
N-(4-methoxyphenyl)-2-(4-oxo-2-phenylchromen-7-yl)oxyacetamide
CID 44587589
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-3-methoxybenzamide
CID 17146887
N-[3-[2-(4-ethoxyphenyl)-2-oxoethyl]sulfanylphenyl]-3-methoxybenzamide
CID 19299539

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethoxyphenyl)-4-oxochromen-7-yl]-3-methoxybenzamide?
The IUPAC name of N-[2-(4-ethoxyphenyl)-4-oxochromen-7-yl]-3-methoxybenzamide (CID 18568882) is N-[2-(4-ethoxyphenyl)-4-oxochromen-7-yl]-3-methoxybenzamide.
What is the SMILES notation for N-[2-(4-ethoxyphenyl)-4-oxochromen-7-yl]-3-methoxybenzamide?
The canonical SMILES for N-[2-(4-ethoxyphenyl)-4-oxochromen-7-yl]-3-methoxybenzamide is CCOc1ccc(-c2cc(=O)c3ccc(NC(=O)c4cccc(OC)c4)cc3o2)cc1.
What is the InChIKey of N-[2-(4-ethoxyphenyl)-4-oxochromen-7-yl]-3-methoxybenzamide?
The InChIKey is QZJIIVGHASQHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO5/c1-3-30-19-10-7-16(8-11-19)23-15-22(27)21-12-9-18(14-24(21)31-23)26-25(28)17-5-4-6-20(13-17)29-2/h4-15H,3H2,1-2H3,(H,26,28).
What are the key properties of N-[2-(4-ethoxyphenyl)-4-oxochromen-7-yl]-3-methoxybenzamide?
N-[2-(4-ethoxyphenyl)-4-oxochromen-7-yl]-3-methoxybenzamide has a molecular weight of 415.45 g/mol, XLogP of 5.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethoxyphenyl)-4-oxochromen-7-yl]-3-methoxybenzamide is sourced from PubChem (CID 18568882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).