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

C25H21NO5 — CID 98476056

IUPACN-[2-(2-ethoxyphenyl)-4-oxochromen-7-yl]-4-methoxybenzamide
SMILESCCOc1ccccc1-c1cc(=O)c2ccc(NC(=O)c3ccc(OC)cc3)cc2o1
InChIInChI=1S/C25H21NO5/c1-3-30-22-7-5-4-6-20(22)24-15-21(27)19-13-10-17(14-23(19)31-24)26-25(28)16-8-11-18(29-2)12-9-16/h4-15H,3H2,1-2H3,(H,26,28)
InChIKeyDDJSTCFLBFIRKG-UHFFFAOYSA-N
MW415.45 g/mol
LogP5.12
Rot. Bonds6

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

N-[2-(2-ethoxyphenyl)-4-oxochromen-7-yl]-4-methoxybenzamide (PubChem CID 98476056) has the molecular formula C25H21NO5 and a molecular weight of 415.45 g/mol. Its IUPAC name is N-[2-(2-ethoxyphenyl)-4-oxochromen-7-yl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(2-ethoxyphenyl)-4-oxochromen-7-yl]-4-methoxybenzamide
PubChem CID98476056
Molecular FormulaC25H21NO5
Molecular Weight415.45 g/mol
Exact Mass415.14
IUPAC NameN-[2-(2-ethoxyphenyl)-4-oxochromen-7-yl]-4-methoxybenzamide
SMILESCCOc1ccccc1-c1cc(=O)c2ccc(NC(=O)c3ccc(OC)cc3)cc2o1
InChIInChI=1S/C25H21NO5/c1-3-30-22-7-5-4-6-20(22)24-15-21(27)19-13-10-17(14-23(19)31-24)26-25(28)16-8-11-18(29-2)12-9-16/h4-15H,3H2,1-2H3,(H,26,28)
InChIKeyDDJSTCFLBFIRKG-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

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Related Compounds

N-[2-(2-ethoxyphenyl)-4-oxochromen-7-yl]-3,5-dimethoxybenzamide
CID 98476312
4-chloro-N-[2-(2-methoxyphenyl)-4-oxochromen-7-yl]benzamide
CID 98476084
N-[2-(2-ethoxyphenyl)-4-oxochromen-7-yl]cyclopropanecarboxamide
CID 98476235
N-[2-(4-ethoxyphenyl)-4-oxochromen-7-yl]-3-methoxybenzamide
CID 18568882
N-[2-(2-methoxyphenyl)-4-oxochromen-7-yl]-1,3-benzodioxole-5-carboxamide
CID 98476256
3,4-dimethoxy-N-[2-(2-methoxyphenyl)-4-oxochromen-6-yl]benzamide
CID 16801698
N-[2-(2-methoxyphenyl)-4-oxochromen-7-yl]thiophene-2-carboxamide
CID 98476004
4-methoxy-N-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]benzamide
CID 18568776
N-(2-ethoxyphenyl)-4-[(4-methoxybenzoyl)amino]benzamide
CID 2222263
N-dibenzofuran-3-yl-3,4-diethoxybenzamide
CID 100535304
N-(3-amino-4-ethoxyphenyl)-4-methoxybenzamide
CID 23464410
N-[2-(2-methoxyphenyl)-4-oxochromen-7-yl]cyclohexanecarboxamide
CID 98476168

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethoxyphenyl)-4-oxochromen-7-yl]-4-methoxybenzamide?
The IUPAC name of N-[2-(2-ethoxyphenyl)-4-oxochromen-7-yl]-4-methoxybenzamide (CID 98476056) is N-[2-(2-ethoxyphenyl)-4-oxochromen-7-yl]-4-methoxybenzamide.
What is the SMILES notation for N-[2-(2-ethoxyphenyl)-4-oxochromen-7-yl]-4-methoxybenzamide?
The canonical SMILES for N-[2-(2-ethoxyphenyl)-4-oxochromen-7-yl]-4-methoxybenzamide is CCOc1ccccc1-c1cc(=O)c2ccc(NC(=O)c3ccc(OC)cc3)cc2o1.
What is the InChIKey of N-[2-(2-ethoxyphenyl)-4-oxochromen-7-yl]-4-methoxybenzamide?
The InChIKey is DDJSTCFLBFIRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO5/c1-3-30-22-7-5-4-6-20(22)24-15-21(27)19-13-10-17(14-23(19)31-24)26-25(28)16-8-11-18(29-2)12-9-16/h4-15H,3H2,1-2H3,(H,26,28).
What are the key properties of N-[2-(2-ethoxyphenyl)-4-oxochromen-7-yl]-4-methoxybenzamide?
N-[2-(2-ethoxyphenyl)-4-oxochromen-7-yl]-4-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-(2-ethoxyphenyl)-4-oxochromen-7-yl]-4-methoxybenzamide is sourced from PubChem (CID 98476056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).