3-[[4-(dimethylamino)phenyl]methylamino]-N-methylbenzamide

C17H21N3O — CID 28650216

IUPAC3-[[4-(dimethylamino)phenyl]methylamino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NCc2ccc(N(C)C)cc2)c1
InChIInChI=1S/C17H21N3O/c1-18-17(21)14-5-4-6-15(11-14)19-12-13-7-9-16(10-8-13)20(2)3/h4-11,19H,12H2,1-3H3,(H,18,21)
InChIKeyPCJIJZVOIZWADC-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.72
Rot. Bonds5

About 3-[[4-(dimethylamino)phenyl]methylamino]-N-methylbenzamide

3-[[4-(dimethylamino)phenyl]methylamino]-N-methylbenzamide (PubChem CID 28650216) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 3-[[4-(dimethylamino)phenyl]methylamino]-N-methylbenzamide.

Molecular Properties

Compound Name3-[[4-(dimethylamino)phenyl]methylamino]-N-methylbenzamide
PubChem CID28650216
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name3-[[4-(dimethylamino)phenyl]methylamino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NCc2ccc(N(C)C)cc2)c1
InChIInChI=1S/C17H21N3O/c1-18-17(21)14-5-4-6-15(11-14)19-12-13-7-9-16(10-8-13)20(2)3/h4-11,19H,12H2,1-3H3,(H,18,21)
InChIKeyPCJIJZVOIZWADC-UHFFFAOYSA-N
XLogP2.72
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-[[4-(dimethylamino)anilino]methyl]-N-methylbenzamide
CID 60985488
N-methyl-3-(pyridin-4-ylmethylamino)benzamide
CID 28650269
3-[(3,4-dibromophenyl)methylamino]-N-methylbenzamide
CID 115743476
1-N-[[4-(dimethylamino)phenyl]methyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 82538778
N-methyl-3-[(6-methyl-3-pyridinyl)methylamino]benzamide
CID 104756566
3-[(3-bromo-4-hydroxyphenyl)methylamino]-N-methylbenzamide
CID 63045684
3-[(3-bromo-4-chlorophenyl)methylamino]-N-methylbenzamide
CID 83235615
3-[(3-methoxyphenyl)methylamino]-N-methylbenzamide
CID 28650224
3-[(6-methoxy-3-pyridinyl)methylamino]-N-methylbenzamide
CID 114936335
N-methyl-4-[(3-methylsulfanylanilino)methyl]benzamide
CID 60961432
N-methyl-3-[(2-methylphenyl)methylamino]benzamide
CID 28650229
methyl 5-[[3-(methylcarbamoyl)anilino]methyl]furan-2-carboxylate
CID 43222502

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(dimethylamino)phenyl]methylamino]-N-methylbenzamide?
The IUPAC name of 3-[[4-(dimethylamino)phenyl]methylamino]-N-methylbenzamide (CID 28650216) is 3-[[4-(dimethylamino)phenyl]methylamino]-N-methylbenzamide.
What is the SMILES notation for 3-[[4-(dimethylamino)phenyl]methylamino]-N-methylbenzamide?
The canonical SMILES for 3-[[4-(dimethylamino)phenyl]methylamino]-N-methylbenzamide is CNC(=O)c1cccc(NCc2ccc(N(C)C)cc2)c1.
What is the InChIKey of 3-[[4-(dimethylamino)phenyl]methylamino]-N-methylbenzamide?
The InChIKey is PCJIJZVOIZWADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-18-17(21)14-5-4-6-15(11-14)19-12-13-7-9-16(10-8-13)20(2)3/h4-11,19H,12H2,1-3H3,(H,18,21).
What are the key properties of 3-[[4-(dimethylamino)phenyl]methylamino]-N-methylbenzamide?
3-[[4-(dimethylamino)phenyl]methylamino]-N-methylbenzamide has a molecular weight of 283.38 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(dimethylamino)phenyl]methylamino]-N-methylbenzamide is sourced from PubChem (CID 28650216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).