4-(4-amino-2,5-dimethylphenyl)-N-methylbenzamide

C16H18N2O — CID 89203284

IUPAC4-(4-amino-2,5-dimethylphenyl)-N-methylbenzamide
SMILESCNC(=O)c1ccc(-c2cc(C)c(N)cc2C)cc1
InChIInChI=1S/C16H18N2O/c1-10-9-15(17)11(2)8-14(10)12-4-6-13(7-5-12)16(19)18-3/h4-9H,17H2,1-3H3,(H,18,19)
InChIKeySVSQIRBKDRRTEI-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.91
Rot. Bonds2

About 4-(4-amino-2,5-dimethylphenyl)-N-methylbenzamide

4-(4-amino-2,5-dimethylphenyl)-N-methylbenzamide (PubChem CID 89203284) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 4-(4-amino-2,5-dimethylphenyl)-N-methylbenzamide.

Molecular Properties

Compound Name4-(4-amino-2,5-dimethylphenyl)-N-methylbenzamide
PubChem CID89203284
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name4-(4-amino-2,5-dimethylphenyl)-N-methylbenzamide
SMILESCNC(=O)c1ccc(-c2cc(C)c(N)cc2C)cc1
InChIInChI=1S/C16H18N2O/c1-10-9-15(17)11(2)8-14(10)12-4-6-13(7-5-12)16(19)18-3/h4-9H,17H2,1-3H3,(H,18,19)
InChIKeySVSQIRBKDRRTEI-UHFFFAOYSA-N
XLogP2.91
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(4-amino-5-methyl-2-propan-2-ylphenyl)-N-methylbenzamide
CID 59586785
4-(4-chlorophenyl)-2,5-dimethylaniline
CID 23381822
4-(4-aminophenyl)-N-methylbenzamide
CID 91665695
4-(2-amino-5-methoxy-6-methyl-3-pyridinyl)-N-methylbenzamide
CID 162626905
N-(4-amino-2,5-dimethylphenyl)-4-chlorobenzamide
CID 103144495
4-(2-amino-6-methyl-4-pyridinyl)-N-methylbenzamide
CID 170636977
4-[2,5-dimethyl-4-(4-methylphenyl)phenyl]benzoic acid
CID 154692263
4-(3-amino-5-chloro-2-methanimidoylphenyl)-N-methylbenzamide
CID 121326882
4-(4-amino-3-methylphenyl)benzoic acid
CID 23005198
N-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 129145085
4-(4-amino-2,5-dimethylphenyl)-2,6-dimethylaniline
CID 54482332
N,4-dimethylbenzamide;ethane;toluene
CID 143677670

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-2,5-dimethylphenyl)-N-methylbenzamide?
The IUPAC name of 4-(4-amino-2,5-dimethylphenyl)-N-methylbenzamide (CID 89203284) is 4-(4-amino-2,5-dimethylphenyl)-N-methylbenzamide.
What is the SMILES notation for 4-(4-amino-2,5-dimethylphenyl)-N-methylbenzamide?
The canonical SMILES for 4-(4-amino-2,5-dimethylphenyl)-N-methylbenzamide is CNC(=O)c1ccc(-c2cc(C)c(N)cc2C)cc1.
What is the InChIKey of 4-(4-amino-2,5-dimethylphenyl)-N-methylbenzamide?
The InChIKey is SVSQIRBKDRRTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-10-9-15(17)11(2)8-14(10)12-4-6-13(7-5-12)16(19)18-3/h4-9H,17H2,1-3H3,(H,18,19).
What are the key properties of 4-(4-amino-2,5-dimethylphenyl)-N-methylbenzamide?
4-(4-amino-2,5-dimethylphenyl)-N-methylbenzamide has a molecular weight of 254.33 g/mol, XLogP of 2.91, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-2,5-dimethylphenyl)-N-methylbenzamide is sourced from PubChem (CID 89203284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).