3-N-ethyl-1-N-[(2-methylphenyl)methyl]-3-N-phenylbenzene-1,3-dicarboxamide

C24H24N2O2 — CID 109054244

IUPAC3-N-ethyl-1-N-[(2-methylphenyl)methyl]-3-N-phenylbenzene-1,3-dicarboxamide
SMILESCCN(C(=O)c1cccc(C(=O)NCc2ccccc2C)c1)c1ccccc1
InChIInChI=1S/C24H24N2O2/c1-3-26(22-14-5-4-6-15-22)24(28)20-13-9-12-19(16-20)23(27)25-17-21-11-8-7-10-18(21)2/h4-16H,3,17H2,1-2H3,(H,25,27)
InChIKeyXEIIGLURNRXERR-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.59
Rot. Bonds6

About 3-N-ethyl-1-N-[(2-methylphenyl)methyl]-3-N-phenylbenzene-1,3-dicarboxamide

3-N-ethyl-1-N-[(2-methylphenyl)methyl]-3-N-phenylbenzene-1,3-dicarboxamide (PubChem CID 109054244) has the molecular formula C24H24N2O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 3-N-ethyl-1-N-[(2-methylphenyl)methyl]-3-N-phenylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-ethyl-1-N-[(2-methylphenyl)methyl]-3-N-phenylbenzene-1,3-dicarboxamide
PubChem CID109054244
Molecular FormulaC24H24N2O2
Molecular Weight372.47 g/mol
Exact Mass372.18
IUPAC Name3-N-ethyl-1-N-[(2-methylphenyl)methyl]-3-N-phenylbenzene-1,3-dicarboxamide
SMILESCCN(C(=O)c1cccc(C(=O)NCc2ccccc2C)c1)c1ccccc1
InChIInChI=1S/C24H24N2O2/c1-3-26(22-14-5-4-6-15-22)24(28)20-13-9-12-19(16-20)23(27)25-17-21-11-8-7-10-18(21)2/h4-16H,3,17H2,1-2H3,(H,25,27)
InChIKeyXEIIGLURNRXERR-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

3-N,3-N-diethyl-1-N-[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054218
1-N,3-N-bis[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054196
3-N-ethyl-1-N-[(4-methylphenyl)methyl]-3-N-phenylbenzene-1,3-dicarboxamide
CID 109054394
5-N-ethyl-5-N-(3-methylphenyl)-3-N-[(2-methylphenyl)methyl]pyridine-3,5-dicarboxamide
CID 109105164
3-hydroxy-4-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 54940691
N-ethyl-2-[(2-methylphenyl)methylamino]-N-phenylpyrimidine-5-carboxamide
CID 109255731
1-N-[(2-methylphenyl)methyl]-3-N-(2-methylpropyl)benzene-1,3-dicarboxamide
CID 109051262
1-N-(2-methoxyethyl)-3-N-[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109052499
3-N-ethyl-1-N-(2-fluorophenyl)-3-N-phenylbenzene-1,3-dicarboxamide
CID 109057333
4-N-methyl-1-N-[(2-methylphenyl)methyl]-4-N-phenylbenzene-1,4-dicarboxamide
CID 109046812
3-N-ethyl-3-N-(3-methylphenyl)-1-N-(pyridin-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109055053
N-ethyl-2-(2-methylphenyl)-N-phenylacetamide
CID 113098481

Frequently Asked Questions

What is the IUPAC name of 3-N-ethyl-1-N-[(2-methylphenyl)methyl]-3-N-phenylbenzene-1,3-dicarboxamide?
The IUPAC name of 3-N-ethyl-1-N-[(2-methylphenyl)methyl]-3-N-phenylbenzene-1,3-dicarboxamide (CID 109054244) is 3-N-ethyl-1-N-[(2-methylphenyl)methyl]-3-N-phenylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-ethyl-1-N-[(2-methylphenyl)methyl]-3-N-phenylbenzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-ethyl-1-N-[(2-methylphenyl)methyl]-3-N-phenylbenzene-1,3-dicarboxamide is CCN(C(=O)c1cccc(C(=O)NCc2ccccc2C)c1)c1ccccc1.
What is the InChIKey of 3-N-ethyl-1-N-[(2-methylphenyl)methyl]-3-N-phenylbenzene-1,3-dicarboxamide?
The InChIKey is XEIIGLURNRXERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O2/c1-3-26(22-14-5-4-6-15-22)24(28)20-13-9-12-19(16-20)23(27)25-17-21-11-8-7-10-18(21)2/h4-16H,3,17H2,1-2H3,(H,25,27).
What are the key properties of 3-N-ethyl-1-N-[(2-methylphenyl)methyl]-3-N-phenylbenzene-1,3-dicarboxamide?
3-N-ethyl-1-N-[(2-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-[(2-methylphenyl)methyl]-3-N-phenylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 109054244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).