3-N-benzyl-1-N-propylbenzene-1,3-dicarboxamide

C18H20N2O2 — CID 109050299

IUPAC3-N-benzyl-1-N-propylbenzene-1,3-dicarboxamide
SMILESCCCNC(=O)c1cccc(C(=O)NCc2ccccc2)c1
InChIInChI=1S/C18H20N2O2/c1-2-11-19-17(21)15-9-6-10-16(12-15)18(22)20-13-14-7-4-3-5-8-14/h3-10,12H,2,11,13H2,1H3,(H,19,21)(H,20,22)
InChIKeyXMZVLYMGPYTWEM-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.76
Rot. Bonds6

About 3-N-benzyl-1-N-propylbenzene-1,3-dicarboxamide

3-N-benzyl-1-N-propylbenzene-1,3-dicarboxamide (PubChem CID 109050299) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 3-N-benzyl-1-N-propylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-benzyl-1-N-propylbenzene-1,3-dicarboxamide
PubChem CID109050299
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name3-N-benzyl-1-N-propylbenzene-1,3-dicarboxamide
SMILESCCCNC(=O)c1cccc(C(=O)NCc2ccccc2)c1
InChIInChI=1S/C18H20N2O2/c1-2-11-19-17(21)15-9-6-10-16(12-15)18(22)20-13-14-7-4-3-5-8-14/h3-10,12H,2,11,13H2,1H3,(H,19,21)(H,20,22)
InChIKeyXMZVLYMGPYTWEM-UHFFFAOYSA-N
XLogP2.76
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-[[4-[[[3-(benzylcarbamoyl)benzoyl]amino]methyl]phenyl]methyl]-1-N-ethylbenzene-1,3-dicarboxamide
CID 176788614
3-N-benzyl-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide
CID 109054092
3-(2-phenylethyl)-N-propylbenzamide
CID 67214540
3-N-[[2-(hydroxymethyl)phenyl]methyl]-1-N-propylbenzene-1,3-dicarboxamide
CID 111458178
3-[[(4-ethylphenyl)methylcarbamoylamino]methyl]-N-propylbenzamide
CID 119041393
N-benzyl-3-(propylsulfamoyl)benzamide
CID 9393602
3-N-benzyl-3-N-ethyl-1-N-propylbenzene-1,3-dicarboxamide
CID 109050312
4-[[[3-(propylcarbamoyl)phenyl]methylamino]methyl]benzoic acid
CID 122030411
1-N-methyl-3-N-propylbenzene-1,3-dicarboxamide
CID 69320035
3-[[[(benzylamino)-(dimethylamino)methylidene]amino]methyl]-N-propylbenzamide
CID 111058698
1-N-butyl-3-N-[(4-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109051077
3-N-(2-aminoethyl)-1-N-propylbenzene-1,3-dicarboxamide
CID 119382339

Frequently Asked Questions

What is the IUPAC name of 3-N-benzyl-1-N-propylbenzene-1,3-dicarboxamide?
The IUPAC name of 3-N-benzyl-1-N-propylbenzene-1,3-dicarboxamide (CID 109050299) is 3-N-benzyl-1-N-propylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-benzyl-1-N-propylbenzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-benzyl-1-N-propylbenzene-1,3-dicarboxamide is CCCNC(=O)c1cccc(C(=O)NCc2ccccc2)c1.
What is the InChIKey of 3-N-benzyl-1-N-propylbenzene-1,3-dicarboxamide?
The InChIKey is XMZVLYMGPYTWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-2-11-19-17(21)15-9-6-10-16(12-15)18(22)20-13-14-7-4-3-5-8-14/h3-10,12H,2,11,13H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 3-N-benzyl-1-N-propylbenzene-1,3-dicarboxamide?
3-N-benzyl-1-N-propylbenzene-1,3-dicarboxamide has a molecular weight of 296.37 g/mol, XLogP of 2.76, 6 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-propylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 109050299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).