3-N-ethyl-1-N-[(4-methylphenyl)methyl]-3-N-phenylbenzene-1,3-dicarboxamide

C24H24N2O2 — CID 109054394

IUPAC3-N-ethyl-1-N-[(4-methylphenyl)methyl]-3-N-phenylbenzene-1,3-dicarboxamide
SMILESCCN(C(=O)c1cccc(C(=O)NCc2ccc(C)cc2)c1)c1ccccc1
InChIInChI=1S/C24H24N2O2/c1-3-26(22-10-5-4-6-11-22)24(28)21-9-7-8-20(16-21)23(27)25-17-19-14-12-18(2)13-15-19/h4-16H,3,17H2,1-2H3,(H,25,27)
InChIKeyNNCFNWKBJJMHBI-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.59
Rot. Bonds6

About 3-N-ethyl-1-N-[(4-methylphenyl)methyl]-3-N-phenylbenzene-1,3-dicarboxamide

3-N-ethyl-1-N-[(4-methylphenyl)methyl]-3-N-phenylbenzene-1,3-dicarboxamide (PubChem CID 109054394) has the molecular formula C24H24N2O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 3-N-ethyl-1-N-[(4-methylphenyl)methyl]-3-N-phenylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-ethyl-1-N-[(4-methylphenyl)methyl]-3-N-phenylbenzene-1,3-dicarboxamide
PubChem CID109054394
Molecular FormulaC24H24N2O2
Molecular Weight372.47 g/mol
Exact Mass372.18
IUPAC Name3-N-ethyl-1-N-[(4-methylphenyl)methyl]-3-N-phenylbenzene-1,3-dicarboxamide
SMILESCCN(C(=O)c1cccc(C(=O)NCc2ccc(C)cc2)c1)c1ccccc1
InChIInChI=1S/C24H24N2O2/c1-3-26(22-10-5-4-6-11-22)24(28)21-9-7-8-20(16-21)23(27)25-17-19-14-12-18(2)13-15-19/h4-16H,3,17H2,1-2H3,(H,25,27)
InChIKeyNNCFNWKBJJMHBI-UHFFFAOYSA-N
XLogP4.59
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-N-ethyl-3-N-[(4-methylphenyl)methyl]-5-N-phenylpyridine-3,5-dicarboxamide
CID 109105299
3-N-ethyl-1-N-[(2-methylphenyl)methyl]-3-N-phenylbenzene-1,3-dicarboxamide
CID 109054244
3-N-[[4-[[[3-(benzylcarbamoyl)benzoyl]amino]methyl]phenyl]methyl]-1-N-ethylbenzene-1,3-dicarboxamide
CID 176788614
1-N-butyl-3-N-[(4-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109051077
3-N-ethyl-3-N-(3-methylphenyl)-1-N-(pyridin-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109055053
3-[(Z)-N'-hydroxycarbamimidoyl]-N-[(4-methylphenyl)methyl]benzamide
CID 43156132
3-N-ethyl-1-N-(furan-2-ylmethyl)-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide
CID 109054073
3-N-ethyl-1-N-(2-fluorophenyl)-3-N-phenylbenzene-1,3-dicarboxamide
CID 109057333
N-ethyl-3-[[2-(4-methylanilino)acetyl]amino]-N-phenylbenzamide
CID 54814231
2-N-ethyl-4-N-[(4-fluorophenyl)methyl]-2-N-phenylpyridine-2,4-dicarboxamide
CID 109086521
N-ethyl-3,5-dimethyl-N-phenylbenzamide
CID 134028664
2-(N-ethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109256137

Frequently Asked Questions

What is the IUPAC name of 3-N-ethyl-1-N-[(4-methylphenyl)methyl]-3-N-phenylbenzene-1,3-dicarboxamide?
The IUPAC name of 3-N-ethyl-1-N-[(4-methylphenyl)methyl]-3-N-phenylbenzene-1,3-dicarboxamide (CID 109054394) is 3-N-ethyl-1-N-[(4-methylphenyl)methyl]-3-N-phenylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-ethyl-1-N-[(4-methylphenyl)methyl]-3-N-phenylbenzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-ethyl-1-N-[(4-methylphenyl)methyl]-3-N-phenylbenzene-1,3-dicarboxamide is CCN(C(=O)c1cccc(C(=O)NCc2ccc(C)cc2)c1)c1ccccc1.
What is the InChIKey of 3-N-ethyl-1-N-[(4-methylphenyl)methyl]-3-N-phenylbenzene-1,3-dicarboxamide?
The InChIKey is NNCFNWKBJJMHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O2/c1-3-26(22-10-5-4-6-11-22)24(28)21-9-7-8-20(16-21)23(27)25-17-19-14-12-18(2)13-15-19/h4-16H,3,17H2,1-2H3,(H,25,27).
What are the key properties of 3-N-ethyl-1-N-[(4-methylphenyl)methyl]-3-N-phenylbenzene-1,3-dicarboxamide?
3-N-ethyl-1-N-[(4-methylphenyl)methyl]-3-N-phenylbenzene-1,3-dicarboxamide has a molecular weight of 372.47 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-ethyl-1-N-[(4-methylphenyl)methyl]-3-N-phenylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 109054394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).