3,4-dimethoxy-N-[2-(2-methoxyphenyl)-4-oxochromen-6-yl]benzamide

C25H21NO6 — CID 16801698

IUPAC3,4-dimethoxy-N-[2-(2-methoxyphenyl)-4-oxochromen-6-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc3oc(-c4ccccc4OC)cc(=O)c3c2)cc1OC
InChIInChI=1S/C25H21NO6/c1-29-20-7-5-4-6-17(20)23-14-19(27)18-13-16(9-11-21(18)32-23)26-25(28)15-8-10-22(30-2)24(12-15)31-3/h4-14H,1-3H3,(H,26,28)
InChIKeyNGYFIMLTHSNUEP-UHFFFAOYSA-N
MW431.44 g/mol
LogP4.74
Rot. Bonds6

About 3,4-dimethoxy-N-[2-(2-methoxyphenyl)-4-oxochromen-6-yl]benzamide

3,4-dimethoxy-N-[2-(2-methoxyphenyl)-4-oxochromen-6-yl]benzamide (PubChem CID 16801698) has the molecular formula C25H21NO6 and a molecular weight of 431.44 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[2-(2-methoxyphenyl)-4-oxochromen-6-yl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[2-(2-methoxyphenyl)-4-oxochromen-6-yl]benzamide
PubChem CID16801698
Molecular FormulaC25H21NO6
Molecular Weight431.44 g/mol
Exact Mass431.14
IUPAC Name3,4-dimethoxy-N-[2-(2-methoxyphenyl)-4-oxochromen-6-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc3oc(-c4ccccc4OC)cc(=O)c3c2)cc1OC
InChIInChI=1S/C25H21NO6/c1-29-20-7-5-4-6-17(20)23-14-19(27)18-13-16(9-11-21(18)32-23)26-25(28)15-8-10-22(30-2)24(12-15)31-3/h4-14H,1-3H3,(H,26,28)
InChIKeyNGYFIMLTHSNUEP-UHFFFAOYSA-N
XLogP4.74
TPSA87.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.44
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2-methoxyphenyl)-4-oxochromen-6-yl]-2-methylbenzamide
CID 18568738
4-chloro-N-[2-(2-methoxyphenyl)-4-oxochromen-7-yl]benzamide
CID 98476084
N-[2-(2-methoxyphenyl)-4-oxochromen-7-yl]-1,3-benzodioxole-5-carboxamide
CID 98476256
4-fluoro-N-[2-(2-methylphenyl)-4-oxochromen-6-yl]benzamide
CID 18568714
N-[2-(2-ethoxyphenyl)-4-oxochromen-7-yl]-4-methoxybenzamide
CID 98476056
2-methoxy-N-[2-(4-methylphenyl)-4-oxochromen-6-yl]benzamide
CID 18568744
N-[2-(2-methoxyphenyl)-4-oxochromen-7-yl]thiophene-2-carboxamide
CID 98476004
N-[2-(2-ethoxyphenyl)-4-oxochromen-7-yl]-3,5-dimethoxybenzamide
CID 98476312
4-methoxy-N-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]benzamide
CID 18568776
6-methoxy-2-(2-methoxyphenyl)chromen-4-one
CID 676288
3,5-dimethoxy-N-(4-oxo-2-phenylchromen-6-yl)benzamide
CID 18568778
3-(3-chloro-1,2-oxazol-5-yl)-N-[2-(2-methoxyphenyl)-4-oxochromen-6-yl]propanamide
CID 42569824

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[2-(2-methoxyphenyl)-4-oxochromen-6-yl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[2-(2-methoxyphenyl)-4-oxochromen-6-yl]benzamide (CID 16801698) is 3,4-dimethoxy-N-[2-(2-methoxyphenyl)-4-oxochromen-6-yl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[2-(2-methoxyphenyl)-4-oxochromen-6-yl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[2-(2-methoxyphenyl)-4-oxochromen-6-yl]benzamide is COc1ccc(C(=O)Nc2ccc3oc(-c4ccccc4OC)cc(=O)c3c2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[2-(2-methoxyphenyl)-4-oxochromen-6-yl]benzamide?
The InChIKey is NGYFIMLTHSNUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO6/c1-29-20-7-5-4-6-17(20)23-14-19(27)18-13-16(9-11-21(18)32-23)26-25(28)15-8-10-22(30-2)24(12-15)31-3/h4-14H,1-3H3,(H,26,28).
What are the key properties of 3,4-dimethoxy-N-[2-(2-methoxyphenyl)-4-oxochromen-6-yl]benzamide?
3,4-dimethoxy-N-[2-(2-methoxyphenyl)-4-oxochromen-6-yl]benzamide has a molecular weight of 431.44 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[2-(2-methoxyphenyl)-4-oxochromen-6-yl]benzamide is sourced from PubChem (CID 16801698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).