3,4,5-trimethoxy-N-[2-(3-methoxyphenyl)-4-oxo-2,3-dihydrochromen-6-yl]benzamide

C26H25NO7 — CID 166626774

IUPAC3,4,5-trimethoxy-N-[2-(3-methoxyphenyl)-4-oxo-2,3-dihydrochromen-6-yl]benzamide
SMILESCOc1cccc(C2CC(=O)c3cc(NC(=O)c4cc(OC)c(OC)c(OC)c4)ccc3O2)c1
InChIInChI=1S/C26H25NO7/c1-30-18-7-5-6-15(10-18)22-14-20(28)19-13-17(8-9-21(19)34-22)27-26(29)16-11-23(31-2)25(33-4)24(12-16)32-3/h5-13,22H,14H2,1-4H3,(H,27,29)
InChIKeyKUCCJHJCIKKPDY-UHFFFAOYSA-N
MW463.49 g/mol
LogP4.68
Rot. Bonds7

About 3,4,5-trimethoxy-N-[2-(3-methoxyphenyl)-4-oxo-2,3-dihydrochromen-6-yl]benzamide

3,4,5-trimethoxy-N-[2-(3-methoxyphenyl)-4-oxo-2,3-dihydrochromen-6-yl]benzamide (PubChem CID 166626774) has the molecular formula C26H25NO7 and a molecular weight of 463.49 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[2-(3-methoxyphenyl)-4-oxo-2,3-dihydrochromen-6-yl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[2-(3-methoxyphenyl)-4-oxo-2,3-dihydrochromen-6-yl]benzamide
PubChem CID166626774
Molecular FormulaC26H25NO7
Molecular Weight463.49 g/mol
Exact Mass463.16
IUPAC Name3,4,5-trimethoxy-N-[2-(3-methoxyphenyl)-4-oxo-2,3-dihydrochromen-6-yl]benzamide
SMILESCOc1cccc(C2CC(=O)c3cc(NC(=O)c4cc(OC)c(OC)c(OC)c4)ccc3O2)c1
InChIInChI=1S/C26H25NO7/c1-30-18-7-5-6-15(10-18)22-14-20(28)19-13-17(8-9-21(19)34-22)27-26(29)16-11-23(31-2)25(33-4)24(12-16)32-3/h5-13,22H,14H2,1-4H3,(H,27,29)
InChIKeyKUCCJHJCIKKPDY-UHFFFAOYSA-N
XLogP4.68
TPSA92.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.49
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[2-(3-methoxyphenyl)-4-oxo-2,3-dihydrochromen-6-yl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[2-(3-methoxyphenyl)-4-oxo-2,3-dihydrochromen-6-yl]benzamide (CID 166626774) is 3,4,5-trimethoxy-N-[2-(3-methoxyphenyl)-4-oxo-2,3-dihydrochromen-6-yl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[2-(3-methoxyphenyl)-4-oxo-2,3-dihydrochromen-6-yl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[2-(3-methoxyphenyl)-4-oxo-2,3-dihydrochromen-6-yl]benzamide is COc1cccc(C2CC(=O)c3cc(NC(=O)c4cc(OC)c(OC)c(OC)c4)ccc3O2)c1.
What is the InChIKey of 3,4,5-trimethoxy-N-[2-(3-methoxyphenyl)-4-oxo-2,3-dihydrochromen-6-yl]benzamide?
The InChIKey is KUCCJHJCIKKPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO7/c1-30-18-7-5-6-15(10-18)22-14-20(28)19-13-17(8-9-21(19)34-22)27-26(29)16-11-23(31-2)25(33-4)24(12-16)32-3/h5-13,22H,14H2,1-4H3,(H,27,29).
What are the key properties of 3,4,5-trimethoxy-N-[2-(3-methoxyphenyl)-4-oxo-2,3-dihydrochromen-6-yl]benzamide?
3,4,5-trimethoxy-N-[2-(3-methoxyphenyl)-4-oxo-2,3-dihydrochromen-6-yl]benzamide has a molecular weight of 463.49 g/mol, XLogP of 4.68, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[2-(3-methoxyphenyl)-4-oxo-2,3-dihydrochromen-6-yl]benzamide is sourced from PubChem (CID 166626774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).