2,4-diamino-N-[3-(dimethylamino)-4-methylphenyl]benzamide

C16H20N4O — CID 115375793

IUPAC2,4-diamino-N-[3-(dimethylamino)-4-methylphenyl]benzamide
SMILESCc1ccc(NC(=O)c2ccc(N)cc2N)cc1N(C)C
InChIInChI=1S/C16H20N4O/c1-10-4-6-12(9-15(10)20(2)3)19-16(21)13-7-5-11(17)8-14(13)18/h4-9H,17-18H2,1-3H3,(H,19,21)
InChIKeyOCFBEQWRXKRPEE-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.48
Rot. Bonds3

About 2,4-diamino-N-[3-(dimethylamino)-4-methylphenyl]benzamide

2,4-diamino-N-[3-(dimethylamino)-4-methylphenyl]benzamide (PubChem CID 115375793) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 2,4-diamino-N-[3-(dimethylamino)-4-methylphenyl]benzamide.

Molecular Properties

Compound Name2,4-diamino-N-[3-(dimethylamino)-4-methylphenyl]benzamide
PubChem CID115375793
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name2,4-diamino-N-[3-(dimethylamino)-4-methylphenyl]benzamide
SMILESCc1ccc(NC(=O)c2ccc(N)cc2N)cc1N(C)C
InChIInChI=1S/C16H20N4O/c1-10-4-6-12(9-15(10)20(2)3)19-16(21)13-7-5-11(17)8-14(13)18/h4-9H,17-18H2,1-3H3,(H,19,21)
InChIKeyOCFBEQWRXKRPEE-UHFFFAOYSA-N
XLogP2.48
TPSA84.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[3-(dimethylamino)-4-methylphenyl]-2-fluorobenzamide
CID 115375795
5-amino-2-(dimethylamino)-N-(3,4-dimethylphenyl)benzamide
CID 61090008
2-amino-N-[3-(dimethylamino)-4-methylphenyl]-5-fluorobenzamide
CID 115375820
4-amino-N-[3-(dimethylamino)-4-methylphenyl]-5-methylthiophene-2-carboxamide
CID 115375794
N-[3-(dimethylamino)-4-methylphenyl]-2-hydroxy-5-methylbenzamide
CID 115377986
N-[3-(dimethylamino)-4-methylphenyl]-5-fluoro-2-hydroxybenzamide
CID 115377989
N-[3-(dimethylamino)-4-methylphenyl]-2-hydroxy-5-iodobenzamide
CID 107731795
4-amino-N-[3-(dimethylamino)phenyl]-2-methylbenzamide
CID 115375733
2-chloro-N-[3-(dimethylamino)-4-methylphenyl]pyridine-3-carboxamide
CID 115376771
3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 838511
4-amino-N-[3-(dimethylamino)-4-methylphenyl]-1,3-dimethylpyrazole-5-carboxamide
CID 115375824
N-[3-(dimethylamino)-4-methylphenyl]-2,2-dimethylpropanamide
CID 115379519

Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-N-[3-(dimethylamino)-4-methylphenyl]benzamide?
The IUPAC name of 2,4-diamino-N-[3-(dimethylamino)-4-methylphenyl]benzamide (CID 115375793) is 2,4-diamino-N-[3-(dimethylamino)-4-methylphenyl]benzamide.
What is the SMILES notation for 2,4-diamino-N-[3-(dimethylamino)-4-methylphenyl]benzamide?
The canonical SMILES for 2,4-diamino-N-[3-(dimethylamino)-4-methylphenyl]benzamide is Cc1ccc(NC(=O)c2ccc(N)cc2N)cc1N(C)C.
What is the InChIKey of 2,4-diamino-N-[3-(dimethylamino)-4-methylphenyl]benzamide?
The InChIKey is OCFBEQWRXKRPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-10-4-6-12(9-15(10)20(2)3)19-16(21)13-7-5-11(17)8-14(13)18/h4-9H,17-18H2,1-3H3,(H,19,21).
What are the key properties of 2,4-diamino-N-[3-(dimethylamino)-4-methylphenyl]benzamide?
2,4-diamino-N-[3-(dimethylamino)-4-methylphenyl]benzamide has a molecular weight of 284.36 g/mol, XLogP of 2.48, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-N-[3-(dimethylamino)-4-methylphenyl]benzamide is sourced from PubChem (CID 115375793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).