3,5-diamino-N-benzyl-N-methylbenzamide

C15H17N3O — CID 61092300

IUPAC3,5-diamino-N-benzyl-N-methylbenzamide
SMILESCN(Cc1ccccc1)C(=O)c1cc(N)cc(N)c1
InChIInChI=1S/C15H17N3O/c1-18(10-11-5-3-2-4-6-11)15(19)12-7-13(16)9-14(17)8-12/h2-9H,10,16-17H2,1H3
InChIKeyGIEOUBSUPIWLPT-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.12
Rot. Bonds3

About 3,5-diamino-N-benzyl-N-methylbenzamide

3,5-diamino-N-benzyl-N-methylbenzamide (PubChem CID 61092300) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 3,5-diamino-N-benzyl-N-methylbenzamide.

Molecular Properties

Compound Name3,5-diamino-N-benzyl-N-methylbenzamide
PubChem CID61092300
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name3,5-diamino-N-benzyl-N-methylbenzamide
SMILESCN(Cc1ccccc1)C(=O)c1cc(N)cc(N)c1
InChIInChI=1S/C15H17N3O/c1-18(10-11-5-3-2-4-6-11)15(19)12-7-13(16)9-14(17)8-12/h2-9H,10,16-17H2,1H3
InChIKeyGIEOUBSUPIWLPT-UHFFFAOYSA-N
XLogP2.12
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-3,4,5-trimethoxy-N-methylbenzamide
CID 669607
4-amino-N-benzyl-3-methoxy-N-methylbenzamide
CID 104782312
4-amino-N-benzyl-N-methyl-2,6-dinitrobenzamide
CID 577524
N-benzyl-4-fluoro-N-methylbenzamide
CID 669229
N-benzyl-4-bromo-N-methylbenzamide
CID 751372
N-benzyl-N-methylpyridine-4-carboxamide
CID 7038821
N-benzyl-N,3-dimethyl-5-sulfamoylbenzamide
CID 110678045
N-[(4-aminophenyl)methyl]-3,4,5-trifluoro-N-methylbenzamide
CID 63183664
3-amino-N-[(3-bromophenyl)methyl]-N-methylbenzamide
CID 54916014
N-benzyl-3-[(Z)-N'-hydroxycarbamimidoyl]-N-methylbenzamide
CID 43333102
3,5-diamino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 61139345
N-benzyl-N-methyl-4-methylsulfanylbenzamide
CID 78791696

Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-N-benzyl-N-methylbenzamide?
The IUPAC name of 3,5-diamino-N-benzyl-N-methylbenzamide (CID 61092300) is 3,5-diamino-N-benzyl-N-methylbenzamide.
What is the SMILES notation for 3,5-diamino-N-benzyl-N-methylbenzamide?
The canonical SMILES for 3,5-diamino-N-benzyl-N-methylbenzamide is CN(Cc1ccccc1)C(=O)c1cc(N)cc(N)c1.
What is the InChIKey of 3,5-diamino-N-benzyl-N-methylbenzamide?
The InChIKey is GIEOUBSUPIWLPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-18(10-11-5-3-2-4-6-11)15(19)12-7-13(16)9-14(17)8-12/h2-9H,10,16-17H2,1H3.
What are the key properties of 3,5-diamino-N-benzyl-N-methylbenzamide?
3,5-diamino-N-benzyl-N-methylbenzamide has a molecular weight of 255.32 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-N-benzyl-N-methylbenzamide is sourced from PubChem (CID 61092300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).