N-(4-aminophenyl)-2-(2-methylphenyl)-N-propylacetamide

C18H22N2O — CID 63234107

IUPACN-(4-aminophenyl)-2-(2-methylphenyl)-N-propylacetamide
SMILESCCCN(C(=O)Cc1ccccc1C)c1ccc(N)cc1
InChIInChI=1S/C18H22N2O/c1-3-12-20(17-10-8-16(19)9-11-17)18(21)13-15-7-5-4-6-14(15)2/h4-11H,3,12-13,19H2,1-2H3
InChIKeyLTKTYWJKKBLCBF-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.56
Rot. Bonds5

About N-(4-aminophenyl)-2-(2-methylphenyl)-N-propylacetamide

N-(4-aminophenyl)-2-(2-methylphenyl)-N-propylacetamide (PubChem CID 63234107) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-(4-aminophenyl)-2-(2-methylphenyl)-N-propylacetamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-2-(2-methylphenyl)-N-propylacetamide
PubChem CID63234107
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-(4-aminophenyl)-2-(2-methylphenyl)-N-propylacetamide
SMILESCCCN(C(=O)Cc1ccccc1C)c1ccc(N)cc1
InChIInChI=1S/C18H22N2O/c1-3-12-20(17-10-8-16(19)9-11-17)18(21)13-15-7-5-4-6-14(15)2/h4-11H,3,12-13,19H2,1-2H3
InChIKeyLTKTYWJKKBLCBF-UHFFFAOYSA-N
XLogP3.56
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.56
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

N-ethyl-2-(2-methylphenyl)-N-phenylacetamide
CID 113098481
2-(2-methylphenyl)-N,N-dipropylacetamide
CID 86977350
N-(4-aminophenyl)-2-methoxy-N-propylacetamide
CID 63233545
N-(3-aminophenyl)-2-(2-hydroxyphenyl)-N-propylacetamide
CID 80743723
N-(4-aminophenyl)-3,3,3-trifluoro-N-propylpropanamide
CID 63234191
N-acetyl-2-(2-methylphenyl)-N-propylacetamide
CID 151742492
1-(4-aminophenyl)-3-ethyl-1-propylurea
CID 63234160
N-(2-aminophenyl)-N-ethyl-2-(2-methylphenyl)acetamide
CID 62100818
2-(4-aminophenyl)-N-butyl-N-phenylacetamide;hydrochloride
CID 119679254
N-(2-hydroxyethyl)-2-(2-methylphenyl)-N-propylacetamide
CID 60656670
N-(4-aminophenyl)-5-fluoro-2-methyl-N-propylbenzamide
CID 63233675
N-(4-aminophenyl)-3-chloro-4-methyl-N-propylbenzamide
CID 63233676

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-2-(2-methylphenyl)-N-propylacetamide?
The IUPAC name of N-(4-aminophenyl)-2-(2-methylphenyl)-N-propylacetamide (CID 63234107) is N-(4-aminophenyl)-2-(2-methylphenyl)-N-propylacetamide.
What is the SMILES notation for N-(4-aminophenyl)-2-(2-methylphenyl)-N-propylacetamide?
The canonical SMILES for N-(4-aminophenyl)-2-(2-methylphenyl)-N-propylacetamide is CCCN(C(=O)Cc1ccccc1C)c1ccc(N)cc1.
What is the InChIKey of N-(4-aminophenyl)-2-(2-methylphenyl)-N-propylacetamide?
The InChIKey is LTKTYWJKKBLCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-3-12-20(17-10-8-16(19)9-11-17)18(21)13-15-7-5-4-6-14(15)2/h4-11H,3,12-13,19H2,1-2H3.
What are the key properties of N-(4-aminophenyl)-2-(2-methylphenyl)-N-propylacetamide?
N-(4-aminophenyl)-2-(2-methylphenyl)-N-propylacetamide has a molecular weight of 282.39 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-2-(2-methylphenyl)-N-propylacetamide is sourced from PubChem (CID 63234107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).