N-(4-aminophenyl)-4-ethyl-N-methylbenzamide

C16H18N2O — CID 28894052

IUPACN-(4-aminophenyl)-4-ethyl-N-methylbenzamide
SMILESCCc1ccc(C(=O)N(C)c2ccc(N)cc2)cc1
InChIInChI=1S/C16H18N2O/c1-3-12-4-6-13(7-5-12)16(19)18(2)15-10-8-14(17)9-11-15/h4-11H,3,17H2,1-2H3
InChIKeyXEMQEPTWMSUKFS-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.11
Rot. Bonds3

About N-(4-aminophenyl)-4-ethyl-N-methylbenzamide

N-(4-aminophenyl)-4-ethyl-N-methylbenzamide (PubChem CID 28894052) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is N-(4-aminophenyl)-4-ethyl-N-methylbenzamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-4-ethyl-N-methylbenzamide
PubChem CID28894052
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC NameN-(4-aminophenyl)-4-ethyl-N-methylbenzamide
SMILESCCc1ccc(C(=O)N(C)c2ccc(N)cc2)cc1
InChIInChI=1S/C16H18N2O/c1-3-12-4-6-13(7-5-12)16(19)18(2)15-10-8-14(17)9-11-15/h4-11H,3,17H2,1-2H3
InChIKeyXEMQEPTWMSUKFS-UHFFFAOYSA-N
XLogP3.11
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-methyl-N-(4-propylphenyl)benzamide
CID 115160987
4-[(4-ethylphenyl)-methylcarbamoyl]benzoic acid
CID 62004416
3-amino-4-bromo-N-(4-ethylphenyl)-N-methylbenzamide
CID 62003107
4-amino-N-methyl-N-phenylbenzamide
CID 4306081
N-(4-ethylphenyl)-3,4-dihydroxy-N-methylbenzamide
CID 107728488
4-amino-N-methyl-N-(4-propan-2-ylphenyl)benzamide
CID 82092609
3-amino-N-(4-ethylphenyl)-4-methoxy-N-methylbenzamide
CID 62004047
5-amino-2-chloro-N-(4-ethylphenyl)-N-methylbenzamide
CID 62001590
3-amino-N-(4-ethylphenyl)-5-methoxy-N-methylbenzamide
CID 81093516
(E)-3-(4-aminophenyl)-N-(4-ethylphenyl)-N-methylprop-2-enamide
CID 115343896
4-N-(4-ethylphenyl)-4-N-methylbenzene-1,4-diamine
CID 62001857
N-(4-aminophenyl)-2-(4-ethylphenoxy)-N-methylacetamide
CID 43376419

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-4-ethyl-N-methylbenzamide?
The IUPAC name of N-(4-aminophenyl)-4-ethyl-N-methylbenzamide (CID 28894052) is N-(4-aminophenyl)-4-ethyl-N-methylbenzamide.
What is the SMILES notation for N-(4-aminophenyl)-4-ethyl-N-methylbenzamide?
The canonical SMILES for N-(4-aminophenyl)-4-ethyl-N-methylbenzamide is CCc1ccc(C(=O)N(C)c2ccc(N)cc2)cc1.
What is the InChIKey of N-(4-aminophenyl)-4-ethyl-N-methylbenzamide?
The InChIKey is XEMQEPTWMSUKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-3-12-4-6-13(7-5-12)16(19)18(2)15-10-8-14(17)9-11-15/h4-11H,3,17H2,1-2H3.
What are the key properties of N-(4-aminophenyl)-4-ethyl-N-methylbenzamide?
N-(4-aminophenyl)-4-ethyl-N-methylbenzamide has a molecular weight of 254.33 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-4-ethyl-N-methylbenzamide is sourced from PubChem (CID 28894052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).