3-amino-N,N-dimethyl-4-[(2-methylphenyl)methylamino]benzamide

C17H21N3O — CID 82992007

IUPAC3-amino-N,N-dimethyl-4-[(2-methylphenyl)methylamino]benzamide
SMILESCc1ccccc1CNc1ccc(C(=O)N(C)C)cc1N
InChIInChI=1S/C17H21N3O/c1-12-6-4-5-7-14(12)11-19-16-9-8-13(10-15(16)18)17(21)20(2)3/h4-10,19H,11,18H2,1-3H3
InChIKeyAJEQUQSAUOPPEW-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.89
Rot. Bonds4

About 3-amino-N,N-dimethyl-4-[(2-methylphenyl)methylamino]benzamide

3-amino-N,N-dimethyl-4-[(2-methylphenyl)methylamino]benzamide (PubChem CID 82992007) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 3-amino-N,N-dimethyl-4-[(2-methylphenyl)methylamino]benzamide.

Molecular Properties

Compound Name3-amino-N,N-dimethyl-4-[(2-methylphenyl)methylamino]benzamide
PubChem CID82992007
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name3-amino-N,N-dimethyl-4-[(2-methylphenyl)methylamino]benzamide
SMILESCc1ccccc1CNc1ccc(C(=O)N(C)C)cc1N
InChIInChI=1S/C17H21N3O/c1-12-6-4-5-7-14(12)11-19-16-9-8-13(10-15(16)18)17(21)20(2)3/h4-10,19H,11,18H2,1-3H3
InChIKeyAJEQUQSAUOPPEW-UHFFFAOYSA-N
XLogP2.89
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.89
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

3-amino-4-[(4-chlorophenyl)methylamino]-N,N-dimethylbenzamide
CID 82991282
4-(2-acetamidoethylamino)-3-amino-N,N-dimethylbenzamide
CID 82989637
2-N-[(2-methylphenyl)methyl]benzene-1,2-diamine
CID 60903784
3-amino-4-[(2-hydroxy-4-methylpentyl)amino]-N,N-dimethylbenzamide
CID 107151184
3-amino-4-[(3-hydroxy-2-methylpropyl)amino]-N,N-dimethylbenzamide
CID 82992028
3-amino-4-[(2,2-difluoro-3-hydroxypropyl)amino]-N,N-dimethylbenzamide
CID 106167628
3-amino-4-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-N,N-dimethylbenzamide
CID 106369571
4-methyl-3-[(2-methylphenyl)methylamino]benzoic acid
CID 17059873
3-bromo-4-[(2-methylphenyl)methylamino]benzoic acid
CID 82801807
3-amino-4-[(2-hydroxy-4,4-dimethylpentyl)amino]-N,N-dimethylbenzamide
CID 107151012
3-amino-4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N,N-dimethylbenzamide
CID 82991043
3-amino-4-[(2-methoxyphenyl)methylamino]benzamide
CID 43448336

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,N-dimethyl-4-[(2-methylphenyl)methylamino]benzamide?
The IUPAC name of 3-amino-N,N-dimethyl-4-[(2-methylphenyl)methylamino]benzamide (CID 82992007) is 3-amino-N,N-dimethyl-4-[(2-methylphenyl)methylamino]benzamide.
What is the SMILES notation for 3-amino-N,N-dimethyl-4-[(2-methylphenyl)methylamino]benzamide?
The canonical SMILES for 3-amino-N,N-dimethyl-4-[(2-methylphenyl)methylamino]benzamide is Cc1ccccc1CNc1ccc(C(=O)N(C)C)cc1N.
What is the InChIKey of 3-amino-N,N-dimethyl-4-[(2-methylphenyl)methylamino]benzamide?
The InChIKey is AJEQUQSAUOPPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-12-6-4-5-7-14(12)11-19-16-9-8-13(10-15(16)18)17(21)20(2)3/h4-10,19H,11,18H2,1-3H3.
What are the key properties of 3-amino-N,N-dimethyl-4-[(2-methylphenyl)methylamino]benzamide?
3-amino-N,N-dimethyl-4-[(2-methylphenyl)methylamino]benzamide has a molecular weight of 283.38 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,N-dimethyl-4-[(2-methylphenyl)methylamino]benzamide is sourced from PubChem (CID 82992007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).