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

C18H22N2O — CID 62314321

IUPAC3-(2-aminophenyl)-N-[2-(3-methylphenyl)ethyl]propanamide
SMILESCc1cccc(CCNC(=O)CCc2ccccc2N)c1
InChIInChI=1S/C18H22N2O/c1-14-5-4-6-15(13-14)11-12-20-18(21)10-9-16-7-2-3-8-17(16)19/h2-8,13H,9-12,19H2,1H3,(H,20,21)
InChIKeyWRQKZUVAHLIYHY-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.87
Rot. Bonds6

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

3-(2-aminophenyl)-N-[2-(3-methylphenyl)ethyl]propanamide (PubChem CID 62314321) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-[2-(3-methylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-[2-(3-methylphenyl)ethyl]propanamide
PubChem CID62314321
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name3-(2-aminophenyl)-N-[2-(3-methylphenyl)ethyl]propanamide
SMILESCc1cccc(CCNC(=O)CCc2ccccc2N)c1
InChIInChI=1S/C18H22N2O/c1-14-5-4-6-15(13-14)11-12-20-18(21)10-9-16-7-2-3-8-17(16)19/h2-8,13H,9-12,19H2,1H3,(H,20,21)
InChIKeyWRQKZUVAHLIYHY-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-(4-methylphenyl)ethyl]propanamide
CID 120610880
3-[2-[3-(2-aminophenyl)propanoylamino]ethyl]-N-methylbenzamide;hydrochloride
CID 120611139
3-(2-aminophenyl)-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 120608235
3-(furan-2-yl)-N-[2-(3-methylphenyl)ethyl]propanamide
CID 110307624
3-acetamido-N-[2-(3-methylphenyl)ethyl]propanamide
CID 110354308
6-[2-(3-methylphenyl)ethylamino]-6-oxohexanoic acid
CID 62315187
5-[2-(3-methylphenyl)ethylamino]-5-oxopentanoic acid
CID 62314996
5-hydroxy-N-[2-(3-methylphenyl)ethyl]pentanamide
CID 79199375
N-(3-aminobutyl)-3-(3-methylphenyl)propanamide;hydrochloride
CID 119494888
N-[[2-(aminomethyl)phenyl]methyl]-3-(3-methylphenyl)propanamide
CID 62950258
2-[[2-(3-methylphenyl)ethylamino]methyl]aniline
CID 66418651
N-(2-acetamidoethyl)-3-(2-aminophenyl)propanamide;hydrochloride
CID 120608123

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-[2-(3-methylphenyl)ethyl]propanamide?
The IUPAC name of 3-(2-aminophenyl)-N-[2-(3-methylphenyl)ethyl]propanamide (CID 62314321) is 3-(2-aminophenyl)-N-[2-(3-methylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-[2-(3-methylphenyl)ethyl]propanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-[2-(3-methylphenyl)ethyl]propanamide is Cc1cccc(CCNC(=O)CCc2ccccc2N)c1.
What is the InChIKey of 3-(2-aminophenyl)-N-[2-(3-methylphenyl)ethyl]propanamide?
The InChIKey is WRQKZUVAHLIYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-14-5-4-6-15(13-14)11-12-20-18(21)10-9-16-7-2-3-8-17(16)19/h2-8,13H,9-12,19H2,1H3,(H,20,21).
What are the key properties of 3-(2-aminophenyl)-N-[2-(3-methylphenyl)ethyl]propanamide?
3-(2-aminophenyl)-N-[2-(3-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-(3-methylphenyl)ethyl]propanamide is sourced from PubChem (CID 62314321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).