N-(3-benzamidophenyl)-3,4,5-trimethoxybenzamide

C23H22N2O5 — CID 1364890

IUPACN-(3-benzamidophenyl)-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2cccc(NC(=O)c3ccccc3)c2)cc(OC)c1OC
InChIInChI=1S/C23H22N2O5/c1-28-19-12-16(13-20(29-2)21(19)30-3)23(27)25-18-11-7-10-17(14-18)24-22(26)15-8-5-4-6-9-15/h4-14H,1-3H3,(H,24,26)(H,25,27)
InChIKeyDTBCMCUZCYQGJZ-UHFFFAOYSA-N
MW406.44 g/mol
LogP4.22
Rot. Bonds7

About N-(3-benzamidophenyl)-3,4,5-trimethoxybenzamide

N-(3-benzamidophenyl)-3,4,5-trimethoxybenzamide (PubChem CID 1364890) has the molecular formula C23H22N2O5 and a molecular weight of 406.44 g/mol. Its IUPAC name is N-(3-benzamidophenyl)-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-(3-benzamidophenyl)-3,4,5-trimethoxybenzamide
PubChem CID1364890
Molecular FormulaC23H22N2O5
Molecular Weight406.44 g/mol
Exact Mass406.15
IUPAC NameN-(3-benzamidophenyl)-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2cccc(NC(=O)c3ccccc3)c2)cc(OC)c1OC
InChIInChI=1S/C23H22N2O5/c1-28-19-12-16(13-20(29-2)21(19)30-3)23(27)25-18-11-7-10-17(14-18)24-22(26)15-8-5-4-6-9-15/h4-14H,1-3H3,(H,24,26)(H,25,27)
InChIKeyDTBCMCUZCYQGJZ-UHFFFAOYSA-N
XLogP4.22
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-benzamidophenyl)-3,4,5-trimethoxybenzamide?
The IUPAC name of N-(3-benzamidophenyl)-3,4,5-trimethoxybenzamide (CID 1364890) is N-(3-benzamidophenyl)-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-(3-benzamidophenyl)-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-(3-benzamidophenyl)-3,4,5-trimethoxybenzamide is COc1cc(C(=O)Nc2cccc(NC(=O)c3ccccc3)c2)cc(OC)c1OC.
What is the InChIKey of N-(3-benzamidophenyl)-3,4,5-trimethoxybenzamide?
The InChIKey is DTBCMCUZCYQGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O5/c1-28-19-12-16(13-20(29-2)21(19)30-3)23(27)25-18-11-7-10-17(14-18)24-22(26)15-8-5-4-6-9-15/h4-14H,1-3H3,(H,24,26)(H,25,27).
What are the key properties of N-(3-benzamidophenyl)-3,4,5-trimethoxybenzamide?
N-(3-benzamidophenyl)-3,4,5-trimethoxybenzamide has a molecular weight of 406.44 g/mol, XLogP of 4.22, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzamidophenyl)-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 1364890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).