N-(4-amino-2,5-dimethylphenyl)-4-(dimethylamino)benzamide

C17H21N3O — CID 103144355

IUPACN-(4-amino-2,5-dimethylphenyl)-4-(dimethylamino)benzamide
SMILESCc1cc(NC(=O)c2ccc(N(C)C)cc2)c(C)cc1N
InChIInChI=1S/C17H21N3O/c1-11-10-16(12(2)9-15(11)18)19-17(21)13-5-7-14(8-6-13)20(3)4/h5-10H,18H2,1-4H3,(H,19,21)
InChIKeyICFOQTXNICRXQS-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.20
Rot. Bonds3

About N-(4-amino-2,5-dimethylphenyl)-4-(dimethylamino)benzamide

N-(4-amino-2,5-dimethylphenyl)-4-(dimethylamino)benzamide (PubChem CID 103144355) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N-(4-amino-2,5-dimethylphenyl)-4-(dimethylamino)benzamide.

Molecular Properties

Compound NameN-(4-amino-2,5-dimethylphenyl)-4-(dimethylamino)benzamide
PubChem CID103144355
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN-(4-amino-2,5-dimethylphenyl)-4-(dimethylamino)benzamide
SMILESCc1cc(NC(=O)c2ccc(N(C)C)cc2)c(C)cc1N
InChIInChI=1S/C17H21N3O/c1-11-10-16(12(2)9-15(11)18)19-17(21)13-5-7-14(8-6-13)20(3)4/h5-10H,18H2,1-4H3,(H,19,21)
InChIKeyICFOQTXNICRXQS-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

N-(4-amino-2,5-dimethylphenyl)-4-chlorobenzamide
CID 103144495
N-(4-amino-2,5-dimethylphenyl)-4-propan-2-ylbenzamide
CID 103144350
4-amino-N-[4-(dimethylamino)-2-methylphenyl]benzamide
CID 43700590
3-[[4-(dimethylamino)benzoyl]amino]-4-methylbenzoic acid
CID 24695586
N-(5-amino-2,4-dimethylphenyl)-4-hydroxybenzamide
CID 104757000
N-(5-amino-2,4-dimethylphenyl)-4-cyanobenzamide
CID 104756918
N-(4-amino-2,5-dimethylphenyl)-3-chlorobenzamide
CID 103144412
N-(4-amino-2,5-dimethylphenyl)-4-bromo-2-methylbenzamide
CID 103144641
N-(5-amino-2,4-dimethylphenyl)-3-chloro-4-methylbenzamide
CID 104756900
4-(dimethylamino)-N-(2-fluoro-5-methylphenyl)benzamide
CID 78769182
N-(4-amino-2,5-dimethylphenyl)-2,4,6-trimethylbenzamide
CID 103144421
4-[[4-(dimethylamino)benzoyl]amino]-3-hydroxybenzoic acid
CID 108744182

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2,5-dimethylphenyl)-4-(dimethylamino)benzamide?
The IUPAC name of N-(4-amino-2,5-dimethylphenyl)-4-(dimethylamino)benzamide (CID 103144355) is N-(4-amino-2,5-dimethylphenyl)-4-(dimethylamino)benzamide.
What is the SMILES notation for N-(4-amino-2,5-dimethylphenyl)-4-(dimethylamino)benzamide?
The canonical SMILES for N-(4-amino-2,5-dimethylphenyl)-4-(dimethylamino)benzamide is Cc1cc(NC(=O)c2ccc(N(C)C)cc2)c(C)cc1N.
What is the InChIKey of N-(4-amino-2,5-dimethylphenyl)-4-(dimethylamino)benzamide?
The InChIKey is ICFOQTXNICRXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-11-10-16(12(2)9-15(11)18)19-17(21)13-5-7-14(8-6-13)20(3)4/h5-10H,18H2,1-4H3,(H,19,21).
What are the key properties of N-(4-amino-2,5-dimethylphenyl)-4-(dimethylamino)benzamide?
N-(4-amino-2,5-dimethylphenyl)-4-(dimethylamino)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 N-(4-amino-2,5-dimethylphenyl)-4-(dimethylamino)benzamide is sourced from PubChem (CID 103144355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).