3-(2-aminophenyl)-N-[2-(4-methylphenyl)ethyl]propanamide

C18H22N2O — CID 120610880

IUPAC3-(2-aminophenyl)-N-[2-(4-methylphenyl)ethyl]propanamide
SMILESCc1ccc(CCNC(=O)CCc2ccccc2N)cc1
InChIInChI=1S/C18H22N2O/c1-14-6-8-15(9-7-14)12-13-20-18(21)11-10-16-4-2-3-5-17(16)19/h2-9H,10-13,19H2,1H3,(H,20,21)
InChIKeyDBUCQNARIJDJDC-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.87
Rot. Bonds6

About 3-(2-aminophenyl)-N-[2-(4-methylphenyl)ethyl]propanamide

3-(2-aminophenyl)-N-[2-(4-methylphenyl)ethyl]propanamide (PubChem CID 120610880) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-[2-(4-methylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-[2-(4-methylphenyl)ethyl]propanamide
PubChem CID120610880
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name3-(2-aminophenyl)-N-[2-(4-methylphenyl)ethyl]propanamide
SMILESCc1ccc(CCNC(=O)CCc2ccccc2N)cc1
InChIInChI=1S/C18H22N2O/c1-14-6-8-15(9-7-14)12-13-20-18(21)11-10-16-4-2-3-5-17(16)19/h2-9H,10-13,19H2,1H3,(H,20,21)
InChIKeyDBUCQNARIJDJDC-UHFFFAOYSA-N
XLogP2.87
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.87
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

3-(2-aminophenyl)-N-[2-(3-methylphenyl)ethyl]propanamide
CID 62314321
N-(2-acetamidoethyl)-3-(2-aminophenyl)propanamide;hydrochloride
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3-(2-aminophenyl)-N-[2-(carbamoylamino)ethyl]propanamide
CID 83114772
3-(2-aminophenyl)-N-(5-phenylpentyl)propanamide
CID 120610401
N-(3-acetamidopropyl)-3-(2-aminophenyl)propanamide;hydrochloride
CID 120609121
3-(2-aminophenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 107329579
3-[2-[3-(2-aminophenyl)propanoylamino]ethyl]-N-methylbenzamide;hydrochloride
CID 120611139
3-(2-aminophenyl)-N-[3-(dimethylamino)-3-oxopropyl]propanamide;hydrochloride
CID 120609267
3-(2-aminophenyl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]propanamide
CID 120613102
3-chloro-N-[2-(4-methylphenyl)ethyl]propanamide
CID 82110151
N'-hydroxy-N-[2-(4-methylphenyl)ethyl]butanediamide
CID 162387640
4-[2-[3-(2-methylphenyl)propanoylamino]ethyl]benzoic acid
CID 119168685

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-[2-(4-methylphenyl)ethyl]propanamide?
The IUPAC name of 3-(2-aminophenyl)-N-[2-(4-methylphenyl)ethyl]propanamide (CID 120610880) is 3-(2-aminophenyl)-N-[2-(4-methylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-[2-(4-methylphenyl)ethyl]propanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-[2-(4-methylphenyl)ethyl]propanamide is Cc1ccc(CCNC(=O)CCc2ccccc2N)cc1.
What is the InChIKey of 3-(2-aminophenyl)-N-[2-(4-methylphenyl)ethyl]propanamide?
The InChIKey is DBUCQNARIJDJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-14-6-8-15(9-7-14)12-13-20-18(21)11-10-16-4-2-3-5-17(16)19/h2-9H,10-13,19H2,1H3,(H,20,21).
What are the key properties of 3-(2-aminophenyl)-N-[2-(4-methylphenyl)ethyl]propanamide?
3-(2-aminophenyl)-N-[2-(4-methylphenyl)ethyl]propanamide has a molecular weight of 282.39 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-[2-(4-methylphenyl)ethyl]propanamide is sourced from PubChem (CID 120610880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).