3,4,5-trimethoxy-N-[2-[(3,4,5-trimethoxybenzoyl)amino]phenyl]benzamide

C26H28N2O8 — CID 2285718

IUPAC3,4,5-trimethoxy-N-[2-[(3,4,5-trimethoxybenzoyl)amino]phenyl]benzamide
SMILESCOc1cc(C(=O)Nc2ccccc2NC(=O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC
InChIInChI=1S/C26H28N2O8/c1-31-19-11-15(12-20(32-2)23(19)35-5)25(29)27-17-9-7-8-10-18(17)28-26(30)16-13-21(33-3)24(36-6)22(14-16)34-4/h7-14H,1-6H3,(H,27,29)(H,28,30)
InChIKeyYJPVRJMXYWJIGU-UHFFFAOYSA-N
MW496.52 g/mol
LogP4.24
Rot. Bonds10

About 3,4,5-trimethoxy-N-[2-[(3,4,5-trimethoxybenzoyl)amino]phenyl]benzamide

3,4,5-trimethoxy-N-[2-[(3,4,5-trimethoxybenzoyl)amino]phenyl]benzamide (PubChem CID 2285718) has the molecular formula C26H28N2O8 and a molecular weight of 496.52 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[2-[(3,4,5-trimethoxybenzoyl)amino]phenyl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[2-[(3,4,5-trimethoxybenzoyl)amino]phenyl]benzamide
PubChem CID2285718
Molecular FormulaC26H28N2O8
Molecular Weight496.52 g/mol
Exact Mass496.18
IUPAC Name3,4,5-trimethoxy-N-[2-[(3,4,5-trimethoxybenzoyl)amino]phenyl]benzamide
SMILESCOc1cc(C(=O)Nc2ccccc2NC(=O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC
InChIInChI=1S/C26H28N2O8/c1-31-19-11-15(12-20(32-2)23(19)35-5)25(29)27-17-9-7-8-10-18(17)28-26(30)16-13-21(33-3)24(36-6)22(14-16)34-4/h7-14H,1-6H3,(H,27,29)(H,28,30)
InChIKeyYJPVRJMXYWJIGU-UHFFFAOYSA-N
XLogP4.24
TPSA113.58 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.52
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[2-[(3,4,5-trimethoxybenzoyl)amino]phenyl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[2-[(3,4,5-trimethoxybenzoyl)amino]phenyl]benzamide (CID 2285718) is 3,4,5-trimethoxy-N-[2-[(3,4,5-trimethoxybenzoyl)amino]phenyl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[2-[(3,4,5-trimethoxybenzoyl)amino]phenyl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[2-[(3,4,5-trimethoxybenzoyl)amino]phenyl]benzamide is COc1cc(C(=O)Nc2ccccc2NC(=O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[2-[(3,4,5-trimethoxybenzoyl)amino]phenyl]benzamide?
The InChIKey is YJPVRJMXYWJIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O8/c1-31-19-11-15(12-20(32-2)23(19)35-5)25(29)27-17-9-7-8-10-18(17)28-26(30)16-13-21(33-3)24(36-6)22(14-16)34-4/h7-14H,1-6H3,(H,27,29)(H,28,30).
What are the key properties of 3,4,5-trimethoxy-N-[2-[(3,4,5-trimethoxybenzoyl)amino]phenyl]benzamide?
3,4,5-trimethoxy-N-[2-[(3,4,5-trimethoxybenzoyl)amino]phenyl]benzamide has a molecular weight of 496.52 g/mol, XLogP of 4.24, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[2-[(3,4,5-trimethoxybenzoyl)amino]phenyl]benzamide is sourced from PubChem (CID 2285718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).