N-[3-(5-hydroxy-6,7-dimethoxy-4-oxochromen-2-yl)phenyl]-4-methoxybenzamide

C25H21NO7 — CID 142727340

IUPACN-[3-(5-hydroxy-6,7-dimethoxy-4-oxochromen-2-yl)phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cccc(-c3cc(=O)c4c(O)c(OC)c(OC)cc4o3)c2)cc1
InChIInChI=1S/C25H21NO7/c1-30-17-9-7-14(8-10-17)25(29)26-16-6-4-5-15(11-16)19-12-18(27)22-20(33-19)13-21(31-2)24(32-3)23(22)28/h4-13,28H,1-3H3,(H,26,29)
InChIKeyACLWIEYDIDOCFZ-UHFFFAOYSA-N
MW447.44 g/mol
LogP4.44
Rot. Bonds6

About N-[3-(5-hydroxy-6,7-dimethoxy-4-oxochromen-2-yl)phenyl]-4-methoxybenzamide

N-[3-(5-hydroxy-6,7-dimethoxy-4-oxochromen-2-yl)phenyl]-4-methoxybenzamide (PubChem CID 142727340) has the molecular formula C25H21NO7 and a molecular weight of 447.44 g/mol. Its IUPAC name is N-[3-(5-hydroxy-6,7-dimethoxy-4-oxochromen-2-yl)phenyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[3-(5-hydroxy-6,7-dimethoxy-4-oxochromen-2-yl)phenyl]-4-methoxybenzamide
PubChem CID142727340
Molecular FormulaC25H21NO7
Molecular Weight447.44 g/mol
Exact Mass447.13
IUPAC NameN-[3-(5-hydroxy-6,7-dimethoxy-4-oxochromen-2-yl)phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cccc(-c3cc(=O)c4c(O)c(OC)c(OC)cc4o3)c2)cc1
InChIInChI=1S/C25H21NO7/c1-30-17-9-7-14(8-10-17)25(29)26-16-6-4-5-15(11-16)19-12-18(27)22-20(33-19)13-21(31-2)24(32-3)23(22)28/h4-13,28H,1-3H3,(H,26,29)
InChIKeyACLWIEYDIDOCFZ-UHFFFAOYSA-N
XLogP4.44
TPSA107.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.44
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3,4,5-Trimethoxybenzanilide
CID 305103
9-hydroxy-10-methoxy-4-methyl-1H-chromeno[3,4-f]quinoline-2,5-dione
CID 25017511
N-(3-acetylphenyl)-3,4,5-trimethoxybenzamide
CID 692750
3,4,5-trimethoxy-N-[2-(3-methoxyphenyl)-4-oxo-2,3-dihydrochromen-6-yl]benzamide
CID 166626774
2,4,5-trimethoxy-N-(1-naphthyl)benzamide
CID 837977
N-(3-ethylphenyl)-3,4,5-trimethoxybenzamide
CID 897201
N-(4-benzoylphenyl)-2,4,5-trimethoxybenzamide
CID 1020050
N-[2-(3,4-dihydroxyphenyl)-4-oxochromen-3-yl]-3,4-dihydroxybenzamide
CID 10386548
N-[3-(5-hydroxy-6,7-dimethoxy-4-oxochromen-2-yl)phenyl]-2-methoxybenzamide
CID 142727288
3-(5-hydroxy-6,7-dimethoxy-4-oxochromen-2-yl)-N-(3,4,5-trimethoxyphenyl)benzamide
CID 142727293
2-methoxy-N-[4-(5,6,7-trimethoxy-4-oxochromen-2-yl)phenyl]benzamide
CID 142727316
5,7-Dihydroxy-2-[4-(4-methylpiperazin-1-yl)phenyl]-8-propan-2-yloxychromen-4-one
CID 155301364

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-hydroxy-6,7-dimethoxy-4-oxochromen-2-yl)phenyl]-4-methoxybenzamide?
The IUPAC name of N-[3-(5-hydroxy-6,7-dimethoxy-4-oxochromen-2-yl)phenyl]-4-methoxybenzamide (CID 142727340) is N-[3-(5-hydroxy-6,7-dimethoxy-4-oxochromen-2-yl)phenyl]-4-methoxybenzamide.
What is the SMILES notation for N-[3-(5-hydroxy-6,7-dimethoxy-4-oxochromen-2-yl)phenyl]-4-methoxybenzamide?
The canonical SMILES for N-[3-(5-hydroxy-6,7-dimethoxy-4-oxochromen-2-yl)phenyl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2cccc(-c3cc(=O)c4c(O)c(OC)c(OC)cc4o3)c2)cc1.
What is the InChIKey of N-[3-(5-hydroxy-6,7-dimethoxy-4-oxochromen-2-yl)phenyl]-4-methoxybenzamide?
The InChIKey is ACLWIEYDIDOCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO7/c1-30-17-9-7-14(8-10-17)25(29)26-16-6-4-5-15(11-16)19-12-18(27)22-20(33-19)13-21(31-2)24(32-3)23(22)28/h4-13,28H,1-3H3,(H,26,29).
What are the key properties of N-[3-(5-hydroxy-6,7-dimethoxy-4-oxochromen-2-yl)phenyl]-4-methoxybenzamide?
N-[3-(5-hydroxy-6,7-dimethoxy-4-oxochromen-2-yl)phenyl]-4-methoxybenzamide has a molecular weight of 447.44 g/mol, XLogP of 4.44, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-hydroxy-6,7-dimethoxy-4-oxochromen-2-yl)phenyl]-4-methoxybenzamide is sourced from PubChem (CID 142727340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).