1-N-benzyl-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide

C22H20N2O3 — CID 109046735

IUPAC1-N-benzyl-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide
SMILESCOc1cccc(NC(=O)c2ccc(C(=O)NCc3ccccc3)cc2)c1
InChIInChI=1S/C22H20N2O3/c1-27-20-9-5-8-19(14-20)24-22(26)18-12-10-17(11-13-18)21(25)23-15-16-6-3-2-4-7-16/h2-14H,15H2,1H3,(H,23,25)(H,24,26)
InChIKeyZOANATXHANZTMD-UHFFFAOYSA-N
MW360.41 g/mol
LogP3.88
Rot. Bonds6

About 1-N-benzyl-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide

1-N-benzyl-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide (PubChem CID 109046735) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is 1-N-benzyl-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-benzyl-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide
PubChem CID109046735
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC Name1-N-benzyl-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide
SMILESCOc1cccc(NC(=O)c2ccc(C(=O)NCc3ccccc3)cc2)c1
InChIInChI=1S/C22H20N2O3/c1-27-20-9-5-8-19(14-20)24-22(26)18-12-10-17(11-13-18)21(25)23-15-16-6-3-2-4-7-16/h2-14H,15H2,1H3,(H,23,25)(H,24,26)
InChIKeyZOANATXHANZTMD-UHFFFAOYSA-N
XLogP3.88
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(3-methoxyphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047690
4-N-(3-acetamidophenyl)-1-N-benzylbenzene-1,4-dicarboxamide
CID 109046750
methyl 4-[[3-(benzylcarbamoyl)phenyl]carbamoyl]benzoate
CID 28638986
1-N-[2-(3-methoxyphenyl)ethyl]-4-N-phenylbenzene-1,4-dicarboxamide
CID 109048051
4-(aminomethyl)-N-(3-methoxyphenyl)benzamide
CID 16796099
4-[(3-methoxyphenyl)methylcarbamoyl]benzoic acid
CID 61028664
4-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-N-(3-methoxyphenyl)benzamide
CID 7480755
4-[(4-benzylpiperazin-1-yl)methyl]-N-(3-methoxyphenyl)benzamide
CID 1362665
4-[[(3-methoxyphenyl)carbamoylamino]methyl]benzoic acid
CID 108869139
5-N-(3-methoxyphenyl)-3-N-[(3-methylphenyl)methyl]pyridine-3,5-dicarboxamide
CID 109105232
4-acetyl-N-(3-methoxyphenyl)benzamide
CID 16640996
N-benzyl-3-[(4-phenylbenzoyl)amino]benzamide
CID 28638755

Frequently Asked Questions

What is the IUPAC name of 1-N-benzyl-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide?
The IUPAC name of 1-N-benzyl-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide (CID 109046735) is 1-N-benzyl-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-benzyl-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-benzyl-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide is COc1cccc(NC(=O)c2ccc(C(=O)NCc3ccccc3)cc2)c1.
What is the InChIKey of 1-N-benzyl-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide?
The InChIKey is ZOANATXHANZTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3/c1-27-20-9-5-8-19(14-20)24-22(26)18-12-10-17(11-13-18)21(25)23-15-16-6-3-2-4-7-16/h2-14H,15H2,1H3,(H,23,25)(H,24,26).
What are the key properties of 1-N-benzyl-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide?
1-N-benzyl-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide has a molecular weight of 360.41 g/mol, XLogP of 3.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-benzyl-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 109046735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).