3-N-benzyl-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide

C23H22N2O2 — CID 109054092

IUPAC3-N-benzyl-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide
SMILESO=C(NCCc1ccccc1)c1cccc(C(=O)NCc2ccccc2)c1
InChIInChI=1S/C23H22N2O2/c26-22(24-15-14-18-8-3-1-4-9-18)20-12-7-13-21(16-20)23(27)25-17-19-10-5-2-6-11-19/h1-13,16H,14-15,17H2,(H,24,26)(H,25,27)
InChIKeyVTLZUKMTLSSMAA-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.59
Rot. Bonds7

About 3-N-benzyl-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide

3-N-benzyl-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide (PubChem CID 109054092) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is 3-N-benzyl-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-benzyl-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide
PubChem CID109054092
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC Name3-N-benzyl-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide
SMILESO=C(NCCc1ccccc1)c1cccc(C(=O)NCc2ccccc2)c1
InChIInChI=1S/C23H22N2O2/c26-22(24-15-14-18-8-3-1-4-9-18)20-12-7-13-21(16-20)23(27)25-17-19-10-5-2-6-11-19/h1-13,16H,14-15,17H2,(H,24,26)(H,25,27)
InChIKeyVTLZUKMTLSSMAA-UHFFFAOYSA-N
XLogP3.59
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-benzyl-1-N-propylbenzene-1,3-dicarboxamide
CID 109050299
N-benzyl-3-(2-phenylethylcarbamothioylamino)benzamide
CID 17023803
3-N-benzyl-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide
CID 109054096
1-N,4-N-bis(2-phenylethyl)benzene-1,4-dicarboxamide
CID 984633
3-N-[[4-[[[3-(benzylcarbamoyl)benzoyl]amino]methyl]phenyl]methyl]-1-N-ethylbenzene-1,3-dicarboxamide
CID 176788614
1-N-benzyl-3-N-cyclopropylbenzene-1,3-dicarboxamide
CID 109050687
3-(2-aminoethyl)-N-benzylbenzamide
CID 62591363
1-N,3-N-bis[2-(4-chlorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 1242332
3-N-(2-methylphenyl)-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide
CID 109055274
3-N-(3-acetylphenyl)-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide
CID 109055307
1-N-(3-phenylpropyl)-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
CID 109055074
3-(2-phenylethylcarbamoyl)benzenesulfonyl chloride
CID 110823487

Frequently Asked Questions

What is the IUPAC name of 3-N-benzyl-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-benzyl-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide (CID 109054092) is 3-N-benzyl-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-benzyl-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-benzyl-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide is O=C(NCCc1ccccc1)c1cccc(C(=O)NCc2ccccc2)c1.
What is the InChIKey of 3-N-benzyl-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide?
The InChIKey is VTLZUKMTLSSMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2/c26-22(24-15-14-18-8-3-1-4-9-18)20-12-7-13-21(16-20)23(27)25-17-19-10-5-2-6-11-19/h1-13,16H,14-15,17H2,(H,24,26)(H,25,27).
What are the key properties of 3-N-benzyl-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide?
3-N-benzyl-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide has a molecular weight of 358.44 g/mol, XLogP of 3.59, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-benzyl-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 109054092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).