3-amino-4-(dimethylamino)-N-(3,5-dimethylphenyl)benzamide

C17H21N3O — CID 61091528

IUPAC3-amino-4-(dimethylamino)-N-(3,5-dimethylphenyl)benzamide
SMILESCc1cc(C)cc(NC(=O)c2ccc(N(C)C)c(N)c2)c1
InChIInChI=1S/C17H21N3O/c1-11-7-12(2)9-14(8-11)19-17(21)13-5-6-16(20(3)4)15(18)10-13/h5-10H,18H2,1-4H3,(H,19,21)
InChIKeyIITYYLPWTKZWRB-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.20
Rot. Bonds3

About 3-amino-4-(dimethylamino)-N-(3,5-dimethylphenyl)benzamide

3-amino-4-(dimethylamino)-N-(3,5-dimethylphenyl)benzamide (PubChem CID 61091528) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 3-amino-4-(dimethylamino)-N-(3,5-dimethylphenyl)benzamide.

Molecular Properties

Compound Name3-amino-4-(dimethylamino)-N-(3,5-dimethylphenyl)benzamide
PubChem CID61091528
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name3-amino-4-(dimethylamino)-N-(3,5-dimethylphenyl)benzamide
SMILESCc1cc(C)cc(NC(=O)c2ccc(N(C)C)c(N)c2)c1
InChIInChI=1S/C17H21N3O/c1-11-7-12(2)9-14(8-11)19-17(21)13-5-6-16(20(3)4)15(18)10-13/h5-10H,18H2,1-4H3,(H,19,21)
InChIKeyIITYYLPWTKZWRB-UHFFFAOYSA-N
XLogP3.20
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.20
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-fluoro-5-methylphenyl)benzamide
CID 79041488
3-amino-4-(dimethylamino)-N-(4-methylphenyl)benzamide
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3-amino-4-(dimethylamino)-N-phenylbenzamide;dihydrochloride
CID 50851045
3-amino-4-(dimethylamino)-N-(4-methylsulfanylphenyl)benzamide
CID 61092127
3-amino-4-(dimethylamino)-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide
CID 104616472
3-amino-N-(4-bromo-2-fluorophenyl)-4-(dimethylamino)benzamide
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3-amino-4-(dimethylamino)-N-(2-methyl-3-pyridinyl)benzamide
CID 79042477
3-amino-N-(2-bromo-6-fluorophenyl)-4-(dimethylamino)benzamide
CID 107596229
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
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2-[[3-amino-4-(dimethylamino)benzoyl]amino]acetic acid
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3-amino-N-(3,5-dimethylphenyl)-4-propoxybenzamide
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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(dimethylamino)-N-(3,5-dimethylphenyl)benzamide?
The IUPAC name of 3-amino-4-(dimethylamino)-N-(3,5-dimethylphenyl)benzamide (CID 61091528) is 3-amino-4-(dimethylamino)-N-(3,5-dimethylphenyl)benzamide.
What is the SMILES notation for 3-amino-4-(dimethylamino)-N-(3,5-dimethylphenyl)benzamide?
The canonical SMILES for 3-amino-4-(dimethylamino)-N-(3,5-dimethylphenyl)benzamide is Cc1cc(C)cc(NC(=O)c2ccc(N(C)C)c(N)c2)c1.
What is the InChIKey of 3-amino-4-(dimethylamino)-N-(3,5-dimethylphenyl)benzamide?
The InChIKey is IITYYLPWTKZWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-11-7-12(2)9-14(8-11)19-17(21)13-5-6-16(20(3)4)15(18)10-13/h5-10H,18H2,1-4H3,(H,19,21).
What are the key properties of 3-amino-4-(dimethylamino)-N-(3,5-dimethylphenyl)benzamide?
3-amino-4-(dimethylamino)-N-(3,5-dimethylphenyl)benzamide has a molecular weight of 283.38 g/mol, XLogP of 3.20, 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-(3,5-dimethylphenyl)benzamide is sourced from PubChem (CID 61091528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).