3-N-benzyl-1-N,5-dimethylbenzene-1,3-dicarboxamide

C17H18N2O2 — CID 143752516

IUPAC3-N-benzyl-1-N,5-dimethylbenzene-1,3-dicarboxamide
SMILESCNC(=O)c1cc(C)cc(C(=O)NCc2ccccc2)c1
InChIInChI=1S/C17H18N2O2/c1-12-8-14(16(20)18-2)10-15(9-12)17(21)19-11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyNAPCEQYBJDLWTA-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.28
Rot. Bonds4

About 3-N-benzyl-1-N,5-dimethylbenzene-1,3-dicarboxamide

3-N-benzyl-1-N,5-dimethylbenzene-1,3-dicarboxamide (PubChem CID 143752516) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 3-N-benzyl-1-N,5-dimethylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-benzyl-1-N,5-dimethylbenzene-1,3-dicarboxamide
PubChem CID143752516
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name3-N-benzyl-1-N,5-dimethylbenzene-1,3-dicarboxamide
SMILESCNC(=O)c1cc(C)cc(C(=O)NCc2ccccc2)c1
InChIInChI=1S/C17H18N2O2/c1-12-8-14(16(20)18-2)10-15(9-12)17(21)19-11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyNAPCEQYBJDLWTA-UHFFFAOYSA-N
XLogP2.28
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-[(3-ethylphenyl)methyl]-1-N,5-dimethylbenzene-1,3-dicarboxamide
CID 91172760
N-[[3-(hydroxymethyl)phenyl]methyl]-3,5-dimethylbenzamide
CID 63311041
N-[(4-bromophenyl)methyl]-3,5-dimethylbenzamide
CID 61400488
N-benzyl-3,5-ditert-butylbenzamide
CID 11267280
3-methyl-5-(2-phenylethylcarbamoyl)benzoic acid
CID 68605911
3-methyl-5-(methylcarbamoyl)benzoic acid
CID 147633553
3-N-[[4-[[[3-(benzylcarbamoyl)benzoyl]amino]methyl]phenyl]methyl]-1-N-ethylbenzene-1,3-dicarboxamide
CID 176788614
3-N-benzyl-1-N-propylbenzene-1,3-dicarboxamide
CID 109050299
N-benzyl-1,2-dimethyl-6-oxopyridine-4-carboxamide
CID 20668750
3-fluoro-N-[[3-(hydroxymethyl)phenyl]methyl]-5-methylbenzamide
CID 115663338
N-benzyl-4-(hydroxymethyl)benzamide
CID 4125778
N,3,5-trimethylbenzamide;hydrochloride
CID 139561221

Frequently Asked Questions

What is the IUPAC name of 3-N-benzyl-1-N,5-dimethylbenzene-1,3-dicarboxamide?
The IUPAC name of 3-N-benzyl-1-N,5-dimethylbenzene-1,3-dicarboxamide (CID 143752516) is 3-N-benzyl-1-N,5-dimethylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-benzyl-1-N,5-dimethylbenzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-benzyl-1-N,5-dimethylbenzene-1,3-dicarboxamide is CNC(=O)c1cc(C)cc(C(=O)NCc2ccccc2)c1.
What is the InChIKey of 3-N-benzyl-1-N,5-dimethylbenzene-1,3-dicarboxamide?
The InChIKey is NAPCEQYBJDLWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-12-8-14(16(20)18-2)10-15(9-12)17(21)19-11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of 3-N-benzyl-1-N,5-dimethylbenzene-1,3-dicarboxamide?
3-N-benzyl-1-N,5-dimethylbenzene-1,3-dicarboxamide has a molecular weight of 282.34 g/mol, XLogP of 2.28, 4 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,5-dimethylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 143752516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).