2-methoxy-N-[4-(5,6,7-trimethoxy-4-oxochromen-2-yl)phenyl]benzamide

C26H23NO7 — CID 142727316

IUPAC2-methoxy-N-[4-(5,6,7-trimethoxy-4-oxochromen-2-yl)phenyl]benzamide
SMILESCOc1ccccc1C(=O)Nc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)cc3o2)cc1
InChIInChI=1S/C26H23NO7/c1-30-19-8-6-5-7-17(19)26(29)27-16-11-9-15(10-12-16)20-13-18(28)23-21(34-20)14-22(31-2)24(32-3)25(23)33-4/h5-14H,1-4H3,(H,27,29)
InChIKeyAYUYNDNKFJOEBA-UHFFFAOYSA-N
MW461.47 g/mol
LogP4.75
Rot. Bonds7

About 2-methoxy-N-[4-(5,6,7-trimethoxy-4-oxochromen-2-yl)phenyl]benzamide

2-methoxy-N-[4-(5,6,7-trimethoxy-4-oxochromen-2-yl)phenyl]benzamide (PubChem CID 142727316) has the molecular formula C26H23NO7 and a molecular weight of 461.47 g/mol. Its IUPAC name is 2-methoxy-N-[4-(5,6,7-trimethoxy-4-oxochromen-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[4-(5,6,7-trimethoxy-4-oxochromen-2-yl)phenyl]benzamide
PubChem CID142727316
Molecular FormulaC26H23NO7
Molecular Weight461.47 g/mol
Exact Mass461.15
IUPAC Name2-methoxy-N-[4-(5,6,7-trimethoxy-4-oxochromen-2-yl)phenyl]benzamide
SMILESCOc1ccccc1C(=O)Nc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)cc3o2)cc1
InChIInChI=1S/C26H23NO7/c1-30-19-8-6-5-7-17(19)26(29)27-16-11-9-15(10-12-16)20-13-18(28)23-21(34-20)14-22(31-2)24(32-3)25(23)33-4/h5-14H,1-4H3,(H,27,29)
InChIKeyAYUYNDNKFJOEBA-UHFFFAOYSA-N
XLogP4.75
TPSA96.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.47
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[4-(5,6,7-trimethoxy-4-oxochromen-2-yl)phenyl]benzamide?
The IUPAC name of 2-methoxy-N-[4-(5,6,7-trimethoxy-4-oxochromen-2-yl)phenyl]benzamide (CID 142727316) is 2-methoxy-N-[4-(5,6,7-trimethoxy-4-oxochromen-2-yl)phenyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[4-(5,6,7-trimethoxy-4-oxochromen-2-yl)phenyl]benzamide?
The canonical SMILES for 2-methoxy-N-[4-(5,6,7-trimethoxy-4-oxochromen-2-yl)phenyl]benzamide is COc1ccccc1C(=O)Nc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)cc3o2)cc1.
What is the InChIKey of 2-methoxy-N-[4-(5,6,7-trimethoxy-4-oxochromen-2-yl)phenyl]benzamide?
The InChIKey is AYUYNDNKFJOEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO7/c1-30-19-8-6-5-7-17(19)26(29)27-16-11-9-15(10-12-16)20-13-18(28)23-21(34-20)14-22(31-2)24(32-3)25(23)33-4/h5-14H,1-4H3,(H,27,29).
What are the key properties of 2-methoxy-N-[4-(5,6,7-trimethoxy-4-oxochromen-2-yl)phenyl]benzamide?
2-methoxy-N-[4-(5,6,7-trimethoxy-4-oxochromen-2-yl)phenyl]benzamide has a molecular weight of 461.47 g/mol, XLogP of 4.75, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[4-(5,6,7-trimethoxy-4-oxochromen-2-yl)phenyl]benzamide is sourced from PubChem (CID 142727316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).