1-N,3-N-dibenzyl-4-methoxybenzene-1,3-dicarboxamide

C23H22N2O3 — CID 22248617

IUPAC1-N,3-N-dibenzyl-4-methoxybenzene-1,3-dicarboxamide
SMILESCOc1ccc(C(=O)NCc2ccccc2)cc1C(=O)NCc1ccccc1
InChIInChI=1S/C23H22N2O3/c1-28-21-13-12-19(22(26)24-15-17-8-4-2-5-9-17)14-20(21)23(27)25-16-18-10-6-3-7-11-18/h2-14H,15-16H2,1H3,(H,24,26)(H,25,27)
InChIKeyFCCLYTGUBAXLFV-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.56
Rot. Bonds7

About 1-N,3-N-dibenzyl-4-methoxybenzene-1,3-dicarboxamide

1-N,3-N-dibenzyl-4-methoxybenzene-1,3-dicarboxamide (PubChem CID 22248617) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is 1-N,3-N-dibenzyl-4-methoxybenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N,3-N-dibenzyl-4-methoxybenzene-1,3-dicarboxamide
PubChem CID22248617
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC Name1-N,3-N-dibenzyl-4-methoxybenzene-1,3-dicarboxamide
SMILESCOc1ccc(C(=O)NCc2ccccc2)cc1C(=O)NCc1ccccc1
InChIInChI=1S/C23H22N2O3/c1-28-21-13-12-19(22(26)24-15-17-8-4-2-5-9-17)14-20(21)23(27)25-16-18-10-6-3-7-11-18/h2-14H,15-16H2,1H3,(H,24,26)(H,25,27)
InChIKeyFCCLYTGUBAXLFV-UHFFFAOYSA-N
XLogP3.56
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-dibenzyl-4-methoxybenzene-1,3-dicarboxamide?
The IUPAC name of 1-N,3-N-dibenzyl-4-methoxybenzene-1,3-dicarboxamide (CID 22248617) is 1-N,3-N-dibenzyl-4-methoxybenzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N,3-N-dibenzyl-4-methoxybenzene-1,3-dicarboxamide?
The canonical SMILES for 1-N,3-N-dibenzyl-4-methoxybenzene-1,3-dicarboxamide is COc1ccc(C(=O)NCc2ccccc2)cc1C(=O)NCc1ccccc1.
What is the InChIKey of 1-N,3-N-dibenzyl-4-methoxybenzene-1,3-dicarboxamide?
The InChIKey is FCCLYTGUBAXLFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3/c1-28-21-13-12-19(22(26)24-15-17-8-4-2-5-9-17)14-20(21)23(27)25-16-18-10-6-3-7-11-18/h2-14H,15-16H2,1H3,(H,24,26)(H,25,27).
What are the key properties of 1-N,3-N-dibenzyl-4-methoxybenzene-1,3-dicarboxamide?
1-N,3-N-dibenzyl-4-methoxybenzene-1,3-dicarboxamide has a molecular weight of 374.44 g/mol, XLogP of 3.56, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-dibenzyl-4-methoxybenzene-1,3-dicarboxamide is sourced from PubChem (CID 22248617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).