3-amino-4-(dimethylamino)-N-(4-methylphenyl)benzamide

C16H19N3O — CID 61090939

IUPAC3-amino-4-(dimethylamino)-N-(4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(N(C)C)c(N)c2)cc1
InChIInChI=1S/C16H19N3O/c1-11-4-7-13(8-5-11)18-16(20)12-6-9-15(19(2)3)14(17)10-12/h4-10H,17H2,1-3H3,(H,18,20)
InChIKeyNBWZUROHQZBURU-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.90
Rot. Bonds3

About 3-amino-4-(dimethylamino)-N-(4-methylphenyl)benzamide

3-amino-4-(dimethylamino)-N-(4-methylphenyl)benzamide (PubChem CID 61090939) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 3-amino-4-(dimethylamino)-N-(4-methylphenyl)benzamide.

Molecular Properties

Compound Name3-amino-4-(dimethylamino)-N-(4-methylphenyl)benzamide
PubChem CID61090939
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name3-amino-4-(dimethylamino)-N-(4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(N(C)C)c(N)c2)cc1
InChIInChI=1S/C16H19N3O/c1-11-4-7-13(8-5-11)18-16(20)12-6-9-15(19(2)3)14(17)10-12/h4-10H,17H2,1-3H3,(H,18,20)
InChIKeyNBWZUROHQZBURU-UHFFFAOYSA-N
XLogP2.90
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.90
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-(dimethylamino)-N-(3,5-dimethylphenyl)benzamide
CID 61091528
3-amino-4-(dimethylamino)-N-phenylbenzamide;dihydrochloride
CID 50851045
3-amino-4-(dimethylamino)-N-(4-methylsulfanylphenyl)benzamide
CID 61092127
3-amino-4-(dimethylamino)-N-(3-fluoro-5-methylphenyl)benzamide
CID 79041488
4-amino-3-fluoro-N-(4-methylphenyl)benzamide
CID 55103260
3-amino-4-(dimethylamino)-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide
CID 104616472
3-amino-4-(dimethylamino)-N-(2-methyl-3-pyridinyl)benzamide
CID 79042477
3-(dimethylamino)-N-(4-methylphenyl)benzamide
CID 7899886
3,4-dimethyl-N-(4-methylphenyl)benzamide
CID 3950718
3-amino-4-(dimethylamino)-N-(1-methylpyrazol-3-yl)benzamide
CID 61104637
3-amino-4-(dimethylamino)-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]benzamide
CID 59202372
3-N-(4-aminophenyl)-1-N-(4-methylphenyl)benzene-1,3-dicarboxamide
CID 158719298

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(dimethylamino)-N-(4-methylphenyl)benzamide?
The IUPAC name of 3-amino-4-(dimethylamino)-N-(4-methylphenyl)benzamide (CID 61090939) is 3-amino-4-(dimethylamino)-N-(4-methylphenyl)benzamide.
What is the SMILES notation for 3-amino-4-(dimethylamino)-N-(4-methylphenyl)benzamide?
The canonical SMILES for 3-amino-4-(dimethylamino)-N-(4-methylphenyl)benzamide is Cc1ccc(NC(=O)c2ccc(N(C)C)c(N)c2)cc1.
What is the InChIKey of 3-amino-4-(dimethylamino)-N-(4-methylphenyl)benzamide?
The InChIKey is NBWZUROHQZBURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-11-4-7-13(8-5-11)18-16(20)12-6-9-15(19(2)3)14(17)10-12/h4-10H,17H2,1-3H3,(H,18,20).
What are the key properties of 3-amino-4-(dimethylamino)-N-(4-methylphenyl)benzamide?
3-amino-4-(dimethylamino)-N-(4-methylphenyl)benzamide has a molecular weight of 269.35 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(dimethylamino)-N-(4-methylphenyl)benzamide is sourced from PubChem (CID 61090939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).