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

C23H22N2O3 — CID 109046738

IUPAC1-N-benzyl-4-N-(4-ethoxyphenyl)benzene-1,4-dicarboxamide
SMILESCCOc1ccc(NC(=O)c2ccc(C(=O)NCc3ccccc3)cc2)cc1
InChIInChI=1S/C23H22N2O3/c1-2-28-21-14-12-20(13-15-21)25-23(27)19-10-8-18(9-11-19)22(26)24-16-17-6-4-3-5-7-17/h3-15H,2,16H2,1H3,(H,24,26)(H,25,27)
InChIKeyMTQIQAFKNMTVQC-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.27
Rot. Bonds7

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

1-N-benzyl-4-N-(4-ethoxyphenyl)benzene-1,4-dicarboxamide (PubChem CID 109046738) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is 1-N-benzyl-4-N-(4-ethoxyphenyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-benzyl-4-N-(4-ethoxyphenyl)benzene-1,4-dicarboxamide
PubChem CID109046738
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC Name1-N-benzyl-4-N-(4-ethoxyphenyl)benzene-1,4-dicarboxamide
SMILESCCOc1ccc(NC(=O)c2ccc(C(=O)NCc3ccccc3)cc2)cc1
InChIInChI=1S/C23H22N2O3/c1-2-28-21-14-12-20(13-15-21)25-23(27)19-10-8-18(9-11-19)22(26)24-16-17-6-4-3-5-7-17/h3-15H,2,16H2,1H3,(H,24,26)(H,25,27)
InChIKeyMTQIQAFKNMTVQC-UHFFFAOYSA-N
XLogP4.27
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 ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-4-[(4-propoxybenzoyl)amino]benzamide
CID 28639944
4-N-(4-ethoxyphenyl)-1-N-[(4-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046981
N-benzyl-4-[[2-(4-ethoxyanilino)acetyl]amino]benzamide
CID 54810964
N-benzyl-4-[(4-heptoxybenzoyl)amino]benzamide
CID 43887413
4-ethoxy-N-[[4-[[(4-ethoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 3528873
1-N-benzyl-4-N-(4-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide
CID 109046741
N-[[4-[(4-ethoxybenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108925525
N-benzyl-1-[2-(4-ethoxyanilino)-2-oxoethyl]pyridin-1-ium-4-carboxamide chloride
CID 171114767
N-(4-ethoxyphenyl)-4-(2-phenoxyethoxy)benzamide
CID 4952680
1-N-benzyl-4-N-(4-ethylphenyl)benzene-1,4-dicarboxamide
CID 109046714
N-(4-ethoxyphenyl)-4-[3-[(2-phenylacetyl)amino]propanoylamino]benzamide
CID 55486447
N-benzyl-4-[[2-(4-methylphenoxy)acetyl]amino]benzamide
CID 28639871

Frequently Asked Questions

What is the IUPAC name of 1-N-benzyl-4-N-(4-ethoxyphenyl)benzene-1,4-dicarboxamide?
The IUPAC name of 1-N-benzyl-4-N-(4-ethoxyphenyl)benzene-1,4-dicarboxamide (CID 109046738) is 1-N-benzyl-4-N-(4-ethoxyphenyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-benzyl-4-N-(4-ethoxyphenyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-benzyl-4-N-(4-ethoxyphenyl)benzene-1,4-dicarboxamide is CCOc1ccc(NC(=O)c2ccc(C(=O)NCc3ccccc3)cc2)cc1.
What is the InChIKey of 1-N-benzyl-4-N-(4-ethoxyphenyl)benzene-1,4-dicarboxamide?
The InChIKey is MTQIQAFKNMTVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3/c1-2-28-21-14-12-20(13-15-21)25-23(27)19-10-8-18(9-11-19)22(26)24-16-17-6-4-3-5-7-17/h3-15H,2,16H2,1H3,(H,24,26)(H,25,27).
What are the key properties of 1-N-benzyl-4-N-(4-ethoxyphenyl)benzene-1,4-dicarboxamide?
1-N-benzyl-4-N-(4-ethoxyphenyl)benzene-1,4-dicarboxamide has a molecular weight of 374.44 g/mol, XLogP of 4.27, 7 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-(4-ethoxyphenyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 109046738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).