3-amino-4-(3,4-dimethylanilino)-N-methylbenzamide

C16H19N3O — CID 82988904

IUPAC3-amino-4-(3,4-dimethylanilino)-N-methylbenzamide
SMILESCNC(=O)c1ccc(Nc2ccc(C)c(C)c2)c(N)c1
InChIInChI=1S/C16H19N3O/c1-10-4-6-13(8-11(10)2)19-15-7-5-12(9-14(15)17)16(20)18-3/h4-9,19H,17H2,1-3H3,(H,18,20)
InChIKeyUJFQZRZLKAFLSK-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.99
Rot. Bonds3

About 3-amino-4-(3,4-dimethylanilino)-N-methylbenzamide

3-amino-4-(3,4-dimethylanilino)-N-methylbenzamide (PubChem CID 82988904) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 3-amino-4-(3,4-dimethylanilino)-N-methylbenzamide.

Molecular Properties

Compound Name3-amino-4-(3,4-dimethylanilino)-N-methylbenzamide
PubChem CID82988904
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name3-amino-4-(3,4-dimethylanilino)-N-methylbenzamide
SMILESCNC(=O)c1ccc(Nc2ccc(C)c(C)c2)c(N)c1
InChIInChI=1S/C16H19N3O/c1-10-4-6-13(8-11(10)2)19-15-7-5-12(9-14(15)17)16(20)18-3/h4-9,19H,17H2,1-3H3,(H,18,20)
InChIKeyUJFQZRZLKAFLSK-UHFFFAOYSA-N
XLogP2.99
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-(3,4-dimethylanilino)-N-propylbenzamide
CID 100624621
3-amino-4-(4-fluoro-3-methylanilino)benzamide
CID 55119022
3-amino-4-(3-ethoxyanilino)-N-methylbenzamide
CID 82991688
3-amino-4-(2,4-dichloroanilino)-N-methylbenzamide
CID 82988433
3-amino-4-(3,4-dichloroanilino)-N-propylbenzamide
CID 100628453
4-(3,4-dimethylanilino)-3-methylbenzoic acid
CID 63538637
3-amino-N-(3,4-dimethylphenyl)-4-hydroxybenzamide
CID 66965766
3-amino-4-[(3,4-dimethylbenzoyl)amino]benzoic acid
CID 63117351
3-amino-N-methyl-4-[[1-(methylamino)-1-oxopropan-2-yl]amino]benzamide
CID 82989269
3-amino-4-(2,5-dichloroanilino)-N-methylbenzamide
CID 82989111
1-[4-(4-acetyl-2-aminoanilino)phenyl]ethanone
CID 82487575
4-(3,4-dimethylanilino)benzoic acid
CID 62230347

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(3,4-dimethylanilino)-N-methylbenzamide?
The IUPAC name of 3-amino-4-(3,4-dimethylanilino)-N-methylbenzamide (CID 82988904) is 3-amino-4-(3,4-dimethylanilino)-N-methylbenzamide.
What is the SMILES notation for 3-amino-4-(3,4-dimethylanilino)-N-methylbenzamide?
The canonical SMILES for 3-amino-4-(3,4-dimethylanilino)-N-methylbenzamide is CNC(=O)c1ccc(Nc2ccc(C)c(C)c2)c(N)c1.
What is the InChIKey of 3-amino-4-(3,4-dimethylanilino)-N-methylbenzamide?
The InChIKey is UJFQZRZLKAFLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-10-4-6-13(8-11(10)2)19-15-7-5-12(9-14(15)17)16(20)18-3/h4-9,19H,17H2,1-3H3,(H,18,20).
What are the key properties of 3-amino-4-(3,4-dimethylanilino)-N-methylbenzamide?
3-amino-4-(3,4-dimethylanilino)-N-methylbenzamide has a molecular weight of 269.35 g/mol, XLogP of 2.99, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(3,4-dimethylanilino)-N-methylbenzamide is sourced from PubChem (CID 82988904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).