1-N-benzyl-4-N-(4-ethylphenyl)benzene-1,4-dicarboxamide

C23H22N2O2 — CID 109046714

IUPAC1-N-benzyl-4-N-(4-ethylphenyl)benzene-1,4-dicarboxamide
SMILESCCc1ccc(NC(=O)c2ccc(C(=O)NCc3ccccc3)cc2)cc1
InChIInChI=1S/C23H22N2O2/c1-2-17-8-14-21(15-9-17)25-23(27)20-12-10-19(11-13-20)22(26)24-16-18-6-4-3-5-7-18/h3-15H,2,16H2,1H3,(H,24,26)(H,25,27)
InChIKeyAIHONOXXSATUAV-UHFFFAOYSA-N
MW358.44 g/mol
LogP4.43
Rot. Bonds6

About 1-N-benzyl-4-N-(4-ethylphenyl)benzene-1,4-dicarboxamide

1-N-benzyl-4-N-(4-ethylphenyl)benzene-1,4-dicarboxamide (PubChem CID 109046714) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is 1-N-benzyl-4-N-(4-ethylphenyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-benzyl-4-N-(4-ethylphenyl)benzene-1,4-dicarboxamide
PubChem CID109046714
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC Name1-N-benzyl-4-N-(4-ethylphenyl)benzene-1,4-dicarboxamide
SMILESCCc1ccc(NC(=O)c2ccc(C(=O)NCc3ccccc3)cc2)cc1
InChIInChI=1S/C23H22N2O2/c1-2-17-8-14-21(15-9-17)25-23(27)20-12-10-19(11-13-20)22(26)24-16-18-6-4-3-5-7-18/h3-15H,2,16H2,1H3,(H,24,26)(H,25,27)
InChIKeyAIHONOXXSATUAV-UHFFFAOYSA-N
XLogP4.43
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-(4-ethylphenyl)-1-N-[(4-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046969
N-(4-ethylphenyl)benzamide
CID 774063
4-N-(4-ethylphenyl)-1-N-[(2-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046822
1-N-benzyl-4-N-(4-ethoxyphenyl)benzene-1,4-dicarboxamide
CID 109046738
N-benzyl-4-[(4-propoxybenzoyl)amino]benzamide
CID 28639944
methyl 3-[[4-(benzylcarbamoyl)phenyl]carbamoyl]benzoate
CID 28640040
1-N-benzyl-4-N-(4-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide
CID 109046741
methyl N-[4-(benzylcarbamoyl)phenyl]carbamate
CID 803106
1-N-benzyl-4-N-(2-ethylphenyl)benzene-1,4-dicarboxamide
CID 109046713
N-benzyl-4-[[2-(propanoylamino)acetyl]amino]benzamide
CID 86846187
N-benzyl-4-[(4-heptoxybenzoyl)amino]benzamide
CID 43887413
4-N-(4-fluorophenyl)-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109047271

Frequently Asked Questions

What is the IUPAC name of 1-N-benzyl-4-N-(4-ethylphenyl)benzene-1,4-dicarboxamide?
The IUPAC name of 1-N-benzyl-4-N-(4-ethylphenyl)benzene-1,4-dicarboxamide (CID 109046714) is 1-N-benzyl-4-N-(4-ethylphenyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-benzyl-4-N-(4-ethylphenyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-benzyl-4-N-(4-ethylphenyl)benzene-1,4-dicarboxamide is CCc1ccc(NC(=O)c2ccc(C(=O)NCc3ccccc3)cc2)cc1.
What is the InChIKey of 1-N-benzyl-4-N-(4-ethylphenyl)benzene-1,4-dicarboxamide?
The InChIKey is AIHONOXXSATUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2/c1-2-17-8-14-21(15-9-17)25-23(27)20-12-10-19(11-13-20)22(26)24-16-18-6-4-3-5-7-18/h3-15H,2,16H2,1H3,(H,24,26)(H,25,27).
What are the key properties of 1-N-benzyl-4-N-(4-ethylphenyl)benzene-1,4-dicarboxamide?
1-N-benzyl-4-N-(4-ethylphenyl)benzene-1,4-dicarboxamide has a molecular weight of 358.44 g/mol, XLogP of 4.43, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-benzyl-4-N-(4-ethylphenyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 109046714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).