N-(7-hydroxy-8-methyl-2-oxochromen-3-yl)-4-methoxy-3-(3-methoxyphenyl)benzamide

C25H21NO6 — CID 56673614

IUPACN-(7-hydroxy-8-methyl-2-oxochromen-3-yl)-4-methoxy-3-(3-methoxyphenyl)benzamide
SMILESCOc1cccc(-c2cc(C(=O)Nc3cc4ccc(O)c(C)c4oc3=O)ccc2OC)c1
InChIInChI=1S/C25H21NO6/c1-14-21(27)9-7-16-13-20(25(29)32-23(14)16)26-24(28)17-8-10-22(31-3)19(12-17)15-5-4-6-18(11-15)30-2/h4-13,27H,1-3H3,(H,26,28)
InChIKeyVAVDHMVVCVYEIY-UHFFFAOYSA-N
MW431.44 g/mol
LogP4.74
Rot. Bonds5

About N-(7-hydroxy-8-methyl-2-oxochromen-3-yl)-4-methoxy-3-(3-methoxyphenyl)benzamide

N-(7-hydroxy-8-methyl-2-oxochromen-3-yl)-4-methoxy-3-(3-methoxyphenyl)benzamide (PubChem CID 56673614) has the molecular formula C25H21NO6 and a molecular weight of 431.44 g/mol. Its IUPAC name is N-(7-hydroxy-8-methyl-2-oxochromen-3-yl)-4-methoxy-3-(3-methoxyphenyl)benzamide.

Molecular Properties

Compound NameN-(7-hydroxy-8-methyl-2-oxochromen-3-yl)-4-methoxy-3-(3-methoxyphenyl)benzamide
PubChem CID56673614
Molecular FormulaC25H21NO6
Molecular Weight431.44 g/mol
Exact Mass431.14
IUPAC NameN-(7-hydroxy-8-methyl-2-oxochromen-3-yl)-4-methoxy-3-(3-methoxyphenyl)benzamide
SMILESCOc1cccc(-c2cc(C(=O)Nc3cc4ccc(O)c(C)c4oc3=O)ccc2OC)c1
InChIInChI=1S/C25H21NO6/c1-14-21(27)9-7-16-13-20(25(29)32-23(14)16)26-24(28)17-8-10-22(31-3)19(12-17)15-5-4-6-18(11-15)30-2/h4-13,27H,1-3H3,(H,26,28)
InChIKeyVAVDHMVVCVYEIY-UHFFFAOYSA-N
XLogP4.74
TPSA98.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.44
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(7-hydroxy-8-methyl-2-oxochromen-3-yl)-4-methoxy-3-(3-methoxyphenyl)benzamide?
The IUPAC name of N-(7-hydroxy-8-methyl-2-oxochromen-3-yl)-4-methoxy-3-(3-methoxyphenyl)benzamide (CID 56673614) is N-(7-hydroxy-8-methyl-2-oxochromen-3-yl)-4-methoxy-3-(3-methoxyphenyl)benzamide.
What is the SMILES notation for N-(7-hydroxy-8-methyl-2-oxochromen-3-yl)-4-methoxy-3-(3-methoxyphenyl)benzamide?
The canonical SMILES for N-(7-hydroxy-8-methyl-2-oxochromen-3-yl)-4-methoxy-3-(3-methoxyphenyl)benzamide is COc1cccc(-c2cc(C(=O)Nc3cc4ccc(O)c(C)c4oc3=O)ccc2OC)c1.
What is the InChIKey of N-(7-hydroxy-8-methyl-2-oxochromen-3-yl)-4-methoxy-3-(3-methoxyphenyl)benzamide?
The InChIKey is VAVDHMVVCVYEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO6/c1-14-21(27)9-7-16-13-20(25(29)32-23(14)16)26-24(28)17-8-10-22(31-3)19(12-17)15-5-4-6-18(11-15)30-2/h4-13,27H,1-3H3,(H,26,28).
What are the key properties of N-(7-hydroxy-8-methyl-2-oxochromen-3-yl)-4-methoxy-3-(3-methoxyphenyl)benzamide?
N-(7-hydroxy-8-methyl-2-oxochromen-3-yl)-4-methoxy-3-(3-methoxyphenyl)benzamide has a molecular weight of 431.44 g/mol, XLogP of 4.74, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-hydroxy-8-methyl-2-oxochromen-3-yl)-4-methoxy-3-(3-methoxyphenyl)benzamide is sourced from PubChem (CID 56673614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).