3-N-benzyl-3-N-ethyl-1-N-(1-phenylethyl)benzene-1,3-dicarboxamide

C25H26N2O2 — CID 109054430

IUPAC3-N-benzyl-3-N-ethyl-1-N-(1-phenylethyl)benzene-1,3-dicarboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cccc(C(=O)NC(C)c2ccccc2)c1
InChIInChI=1S/C25H26N2O2/c1-3-27(18-20-11-6-4-7-12-20)25(29)23-16-10-15-22(17-23)24(28)26-19(2)21-13-8-5-9-14-21/h4-17,19H,3,18H2,1-2H3,(H,26,28)
InChIKeyIJVLCRFAFFOCDB-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.84
Rot. Bonds7

About 3-N-benzyl-3-N-ethyl-1-N-(1-phenylethyl)benzene-1,3-dicarboxamide

3-N-benzyl-3-N-ethyl-1-N-(1-phenylethyl)benzene-1,3-dicarboxamide (PubChem CID 109054430) has the molecular formula C25H26N2O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 3-N-benzyl-3-N-ethyl-1-N-(1-phenylethyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-benzyl-3-N-ethyl-1-N-(1-phenylethyl)benzene-1,3-dicarboxamide
PubChem CID109054430
Molecular FormulaC25H26N2O2
Molecular Weight386.50 g/mol
Exact Mass386.20
IUPAC Name3-N-benzyl-3-N-ethyl-1-N-(1-phenylethyl)benzene-1,3-dicarboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cccc(C(=O)NC(C)c2ccccc2)c1
InChIInChI=1S/C25H26N2O2/c1-3-27(18-20-11-6-4-7-12-20)25(29)23-16-10-15-22(17-23)24(28)26-19(2)21-13-8-5-9-14-21/h4-17,19H,3,18H2,1-2H3,(H,26,28)
InChIKeyIJVLCRFAFFOCDB-UHFFFAOYSA-N
XLogP4.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-benzyl-3-N-ethyl-1-N-propylbenzene-1,3-dicarboxamide
CID 109050312
3-[benzyl(ethyl)carbamoyl]benzoic acid
CID 43452784
1-N-butan-2-yl-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide
CID 109051451
1-N-(2-methylpropyl)-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide
CID 109051265
3-[[2-[4-(diethylcarbamoyl)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54834304
1-N-butyl-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide
CID 109051078
N-benzyl-N-ethyl-3-(propanoylamino)benzamide
CID 17309573
N-benzyl-N-ethyl-2-(1-phenylethylamino)pyrimidine-5-carboxamide
CID 109256485
3-[[[3-[[[3-[[[3-[[[3-[[[3-[[benzoyl(ethyl)amino]methyl]benzoyl]-ethylamino]methyl]benzoyl]-ethylamino]methyl]benzoyl]-ethylamino]methyl]benzoyl]-ethylamino]methyl]benzoyl]-ethylamino]methyl]benzoic acid
CID 56590718
3-(2-aminoethyl)-N-[(1R)-1-phenylethyl]benzamide
CID 107863937
3-N-benzyl-1-N-(2-cyanophenyl)-3-N-ethylbenzene-1,3-dicarboxamide
CID 109054951
2-[benzyl(ethyl)amino]-N-(1-phenylethyl)pyrimidine-5-carboxamide
CID 109256352

Frequently Asked Questions

What is the IUPAC name of 3-N-benzyl-3-N-ethyl-1-N-(1-phenylethyl)benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-benzyl-3-N-ethyl-1-N-(1-phenylethyl)benzene-1,3-dicarboxamide (CID 109054430) is 3-N-benzyl-3-N-ethyl-1-N-(1-phenylethyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-benzyl-3-N-ethyl-1-N-(1-phenylethyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-benzyl-3-N-ethyl-1-N-(1-phenylethyl)benzene-1,3-dicarboxamide is CCN(Cc1ccccc1)C(=O)c1cccc(C(=O)NC(C)c2ccccc2)c1.
What is the InChIKey of 3-N-benzyl-3-N-ethyl-1-N-(1-phenylethyl)benzene-1,3-dicarboxamide?
The InChIKey is IJVLCRFAFFOCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O2/c1-3-27(18-20-11-6-4-7-12-20)25(29)23-16-10-15-22(17-23)24(28)26-19(2)21-13-8-5-9-14-21/h4-17,19H,3,18H2,1-2H3,(H,26,28).
What are the key properties of 3-N-benzyl-3-N-ethyl-1-N-(1-phenylethyl)benzene-1,3-dicarboxamide?
3-N-benzyl-3-N-ethyl-1-N-(1-phenylethyl)benzene-1,3-dicarboxamide has a molecular weight of 386.50 g/mol, XLogP of 4.84, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-benzyl-3-N-ethyl-1-N-(1-phenylethyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 109054430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).