3-(2-aminophenyl)-N-(3,5-dimethylphenyl)-N-ethylpropanamide

C19H24N2O — CID 120609604

IUPAC3-(2-aminophenyl)-N-(3,5-dimethylphenyl)-N-ethylpropanamide
SMILESCCN(C(=O)CCc1ccccc1N)c1cc(C)cc(C)c1
InChIInChI=1S/C19H24N2O/c1-4-21(17-12-14(2)11-15(3)13-17)19(22)10-9-16-7-5-6-8-18(16)20/h5-8,11-13H,4,9-10,20H2,1-3H3
InChIKeyDRKYAWRFNQIQKL-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.87
Rot. Bonds5

About 3-(2-aminophenyl)-N-(3,5-dimethylphenyl)-N-ethylpropanamide

3-(2-aminophenyl)-N-(3,5-dimethylphenyl)-N-ethylpropanamide (PubChem CID 120609604) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-(3,5-dimethylphenyl)-N-ethylpropanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-(3,5-dimethylphenyl)-N-ethylpropanamide
PubChem CID120609604
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name3-(2-aminophenyl)-N-(3,5-dimethylphenyl)-N-ethylpropanamide
SMILESCCN(C(=O)CCc1ccccc1N)c1cc(C)cc(C)c1
InChIInChI=1S/C19H24N2O/c1-4-21(17-12-14(2)11-15(3)13-17)19(22)10-9-16-7-5-6-8-18(16)20/h5-8,11-13H,4,9-10,20H2,1-3H3
InChIKeyDRKYAWRFNQIQKL-UHFFFAOYSA-N
XLogP3.87
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-aminophenyl)-N-ethyl-N-phenylpropanamide
CID 28713899
N-(3,5-dimethylphenyl)-N-ethyl-3-phenylpropanamide
CID 52574490
N-(3-amino-3-oxopropyl)-3-(2-aminophenyl)-N-(3-methylphenyl)propanamide;hydrochloride
CID 120610142
N-(3,5-dimethylphenyl)-N-ethyl-2-phenylacetamide
CID 55592045
N-(2-aminophenyl)-N-ethyl-3-(2-methylphenyl)propanamide
CID 62365327
3-(2-aminophenyl)-N-ethyl-N-propylpropanamide
CID 43309247
3-(2-aminophenyl)-N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide;hydrochloride
CID 120611119
3-(2-aminophenyl)-N-methyl-N-phenylpropanamide
CID 28713868
3-(2-aminophenyl)-N-(3,5-dimethylphenyl)propanamide
CID 28713886
3-(2-aminophenyl)-N-(cyclopropylmethyl)-N-ethylpropanamide
CID 63957099
N-(3,5-dimethylphenyl)-N-ethyl-3-(1,3-thiazol-2-yl)propanamide
CID 75417005
3-(2-aminophenyl)-N-cyclopentyl-N-ethylpropanamide
CID 43541570

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-(3,5-dimethylphenyl)-N-ethylpropanamide?
The IUPAC name of 3-(2-aminophenyl)-N-(3,5-dimethylphenyl)-N-ethylpropanamide (CID 120609604) is 3-(2-aminophenyl)-N-(3,5-dimethylphenyl)-N-ethylpropanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-(3,5-dimethylphenyl)-N-ethylpropanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-(3,5-dimethylphenyl)-N-ethylpropanamide is CCN(C(=O)CCc1ccccc1N)c1cc(C)cc(C)c1.
What is the InChIKey of 3-(2-aminophenyl)-N-(3,5-dimethylphenyl)-N-ethylpropanamide?
The InChIKey is DRKYAWRFNQIQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-4-21(17-12-14(2)11-15(3)13-17)19(22)10-9-16-7-5-6-8-18(16)20/h5-8,11-13H,4,9-10,20H2,1-3H3.
What are the key properties of 3-(2-aminophenyl)-N-(3,5-dimethylphenyl)-N-ethylpropanamide?
3-(2-aminophenyl)-N-(3,5-dimethylphenyl)-N-ethylpropanamide has a molecular weight of 296.41 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-(3,5-dimethylphenyl)-N-ethylpropanamide is sourced from PubChem (CID 120609604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).