4-methoxy-3-(3-methoxyphenyl)-N-[8-methyl-7-[2-(methylamino)ethoxy]-2-oxochromen-3-yl]benzamide

C28H28N2O6 — CID 53259763

IUPAC4-methoxy-3-(3-methoxyphenyl)-N-[8-methyl-7-[2-(methylamino)ethoxy]-2-oxochromen-3-yl]benzamide
SMILESCNCCOc1ccc2cc(NC(=O)c3ccc(OC)c(-c4cccc(OC)c4)c3)c(=O)oc2c1C
InChIInChI=1S/C28H28N2O6/c1-17-24(35-13-12-29-2)10-8-19-16-23(28(32)36-26(17)19)30-27(31)20-9-11-25(34-4)22(15-20)18-6-5-7-21(14-18)33-3/h5-11,14-16,29H,12-13H2,1-4H3,(H,30,31)
InChIKeyFCDSHWKBVQSPTK-UHFFFAOYSA-N
MW488.54 g/mol
LogP4.64
Rot. Bonds9

About 4-methoxy-3-(3-methoxyphenyl)-N-[8-methyl-7-[2-(methylamino)ethoxy]-2-oxochromen-3-yl]benzamide

4-methoxy-3-(3-methoxyphenyl)-N-[8-methyl-7-[2-(methylamino)ethoxy]-2-oxochromen-3-yl]benzamide (PubChem CID 53259763) has the molecular formula C28H28N2O6 and a molecular weight of 488.54 g/mol. Its IUPAC name is 4-methoxy-3-(3-methoxyphenyl)-N-[8-methyl-7-[2-(methylamino)ethoxy]-2-oxochromen-3-yl]benzamide.

Molecular Properties

Compound Name4-methoxy-3-(3-methoxyphenyl)-N-[8-methyl-7-[2-(methylamino)ethoxy]-2-oxochromen-3-yl]benzamide
PubChem CID53259763
Molecular FormulaC28H28N2O6
Molecular Weight488.54 g/mol
Exact Mass488.19
IUPAC Name4-methoxy-3-(3-methoxyphenyl)-N-[8-methyl-7-[2-(methylamino)ethoxy]-2-oxochromen-3-yl]benzamide
SMILESCNCCOc1ccc2cc(NC(=O)c3ccc(OC)c(-c4cccc(OC)c4)c3)c(=O)oc2c1C
InChIInChI=1S/C28H28N2O6/c1-17-24(35-13-12-29-2)10-8-19-16-23(28(32)36-26(17)19)30-27(31)20-9-11-25(34-4)22(15-20)18-6-5-7-21(14-18)33-3/h5-11,14-16,29H,12-13H2,1-4H3,(H,30,31)
InChIKeyFCDSHWKBVQSPTK-UHFFFAOYSA-N
XLogP4.64
TPSA99.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.54
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(3-methoxyphenyl)-N-[8-methyl-7-[2-(methylamino)ethoxy]-2-oxochromen-3-yl]benzamide?
The IUPAC name of 4-methoxy-3-(3-methoxyphenyl)-N-[8-methyl-7-[2-(methylamino)ethoxy]-2-oxochromen-3-yl]benzamide (CID 53259763) is 4-methoxy-3-(3-methoxyphenyl)-N-[8-methyl-7-[2-(methylamino)ethoxy]-2-oxochromen-3-yl]benzamide.
What is the SMILES notation for 4-methoxy-3-(3-methoxyphenyl)-N-[8-methyl-7-[2-(methylamino)ethoxy]-2-oxochromen-3-yl]benzamide?
The canonical SMILES for 4-methoxy-3-(3-methoxyphenyl)-N-[8-methyl-7-[2-(methylamino)ethoxy]-2-oxochromen-3-yl]benzamide is CNCCOc1ccc2cc(NC(=O)c3ccc(OC)c(-c4cccc(OC)c4)c3)c(=O)oc2c1C.
What is the InChIKey of 4-methoxy-3-(3-methoxyphenyl)-N-[8-methyl-7-[2-(methylamino)ethoxy]-2-oxochromen-3-yl]benzamide?
The InChIKey is FCDSHWKBVQSPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O6/c1-17-24(35-13-12-29-2)10-8-19-16-23(28(32)36-26(17)19)30-27(31)20-9-11-25(34-4)22(15-20)18-6-5-7-21(14-18)33-3/h5-11,14-16,29H,12-13H2,1-4H3,(H,30,31).
What are the key properties of 4-methoxy-3-(3-methoxyphenyl)-N-[8-methyl-7-[2-(methylamino)ethoxy]-2-oxochromen-3-yl]benzamide?
4-methoxy-3-(3-methoxyphenyl)-N-[8-methyl-7-[2-(methylamino)ethoxy]-2-oxochromen-3-yl]benzamide has a molecular weight of 488.54 g/mol, XLogP of 4.64, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(3-methoxyphenyl)-N-[8-methyl-7-[2-(methylamino)ethoxy]-2-oxochromen-3-yl]benzamide is sourced from PubChem (CID 53259763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).