N-[2-(4-aminophenyl)ethyl]-3-phenylpropanamide

C17H20N2O — CID 39367183

IUPACN-[2-(4-aminophenyl)ethyl]-3-phenylpropanamide
SMILESNc1ccc(CCNC(=O)CCc2ccccc2)cc1
InChIInChI=1S/C17H20N2O/c18-16-9-6-15(7-10-16)12-13-19-17(20)11-8-14-4-2-1-3-5-14/h1-7,9-10H,8,11-13,18H2,(H,19,20)
InChIKeyGGPRFEJLGUMOTO-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.56
Rot. Bonds6

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

N-[2-(4-aminophenyl)ethyl]-3-phenylpropanamide (PubChem CID 39367183) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)ethyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)ethyl]-3-phenylpropanamide
PubChem CID39367183
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC NameN-[2-(4-aminophenyl)ethyl]-3-phenylpropanamide
SMILESNc1ccc(CCNC(=O)CCc2ccccc2)cc1
InChIInChI=1S/C17H20N2O/c18-16-9-6-15(7-10-16)12-13-19-17(20)11-8-14-4-2-1-3-5-14/h1-7,9-10H,8,11-13,18H2,(H,19,20)
InChIKeyGGPRFEJLGUMOTO-UHFFFAOYSA-N
XLogP2.56
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.56
H-Bond Donors ≤ 52
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

3-[3-(4-aminophenyl)propanoylamino]propanoic acid
CID 113290550
3-(4-aminophenyl)-N-(2-phenylsulfanylethyl)propanamide
CID 61117437
6-[2-(4-aminophenyl)ethylamino]-6-oxohexanoic acid
CID 110483471
N-(3-amino-3-oxopropyl)-3-(4-aminophenyl)propanamide
CID 43553907
3-[2-(4-aminophenyl)ethylamino]-3-oxopropanoic acid
CID 110480212
N-[2-(4-aminophenyl)ethyl]-3-(3-methoxyphenyl)propanamide
CID 119549328
3-(4-aminophenyl)-N-(2-hydroxy-2-phenylethyl)propanamide
CID 61036910
N-[2-(4-aminophenyl)ethyl]-3-[[benzyl(methyl)carbamoyl]amino]propanamide
CID 119548569
N-[2-[4-(dimethylamino)phenyl]ethyl]-3-phenylpropanamide
CID 16889411
N-(4-aminobutyl)-3-(4-aminophenyl)propanamide
CID 115341376
4-[3-(4-aminophenyl)propanoylamino]-2-hydroxybutanoic acid
CID 107836146
3-(3-aminophenyl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 28713362

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)ethyl]-3-phenylpropanamide?
The IUPAC name of N-[2-(4-aminophenyl)ethyl]-3-phenylpropanamide (CID 39367183) is N-[2-(4-aminophenyl)ethyl]-3-phenylpropanamide.
What is the SMILES notation for N-[2-(4-aminophenyl)ethyl]-3-phenylpropanamide?
The canonical SMILES for N-[2-(4-aminophenyl)ethyl]-3-phenylpropanamide is Nc1ccc(CCNC(=O)CCc2ccccc2)cc1.
What is the InChIKey of N-[2-(4-aminophenyl)ethyl]-3-phenylpropanamide?
The InChIKey is GGPRFEJLGUMOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c18-16-9-6-15(7-10-16)12-13-19-17(20)11-8-14-4-2-1-3-5-14/h1-7,9-10H,8,11-13,18H2,(H,19,20).
What are the key properties of N-[2-(4-aminophenyl)ethyl]-3-phenylpropanamide?
N-[2-(4-aminophenyl)ethyl]-3-phenylpropanamide has a molecular weight of 268.36 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenyl)ethyl]-3-phenylpropanamide is sourced from PubChem (CID 39367183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).