3-(4-aminophenyl)-N-(2-hydroxy-2-phenylethyl)propanamide

C17H20N2O2 — CID 61036910

IUPAC3-(4-aminophenyl)-N-(2-hydroxy-2-phenylethyl)propanamide
SMILESNc1ccc(CCC(=O)NCC(O)c2ccccc2)cc1
InChIInChI=1S/C17H20N2O2/c18-15-9-6-13(7-10-15)8-11-17(21)19-12-16(20)14-4-2-1-3-5-14/h1-7,9-10,16,20H,8,11-12,18H2,(H,19,21)
InChIKeyQZYGXMRTYCZWDR-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.05
Rot. Bonds6

About 3-(4-aminophenyl)-N-(2-hydroxy-2-phenylethyl)propanamide

3-(4-aminophenyl)-N-(2-hydroxy-2-phenylethyl)propanamide (PubChem CID 61036910) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-(4-aminophenyl)-N-(2-hydroxy-2-phenylethyl)propanamide.

Molecular Properties

Compound Name3-(4-aminophenyl)-N-(2-hydroxy-2-phenylethyl)propanamide
PubChem CID61036910
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name3-(4-aminophenyl)-N-(2-hydroxy-2-phenylethyl)propanamide
SMILESNc1ccc(CCC(=O)NCC(O)c2ccccc2)cc1
InChIInChI=1S/C17H20N2O2/c18-15-9-6-13(7-10-15)8-11-17(21)19-12-16(20)14-4-2-1-3-5-14/h1-7,9-10,16,20H,8,11-12,18H2,(H,19,21)
InChIKeyQZYGXMRTYCZWDR-UHFFFAOYSA-N
XLogP2.05
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-[(2S)-2-hydroxy-2-phenylethyl]-3-phenylpropanamide
CID 93032888
N-[2-(4-aminophenyl)ethyl]-3-phenylpropanamide
CID 39367183
3-amino-N-(2-hydroxy-2-phenylethyl)propanamide
CID 43500072
N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-3-phenylpropanamide
CID 111424772
3-[3-(4-aminophenyl)propanoylamino]propanoic acid
CID 113290550
3-(2-chlorophenyl)-N-(2-hydroxy-2-phenylethyl)propanamide
CID 43391345
3-[3-(4-aminophenyl)propanoylamino]-2-methoxypropanoic acid
CID 106108939
3-(4-aminophenyl)-N-(2-phenylsulfanylethyl)propanamide
CID 61117437
4-[3-(4-aminophenyl)propanoylamino]-2-hydroxybutanoic acid
CID 107836146
N-[2-(4-aminophenyl)-2-hydroxyethyl]-2-(2-hydroxyphenyl)acetamide
CID 80743477
3-(4-aminophenyl)-N-(2-methoxypropyl)propanamide
CID 102694281
3-(4-ethylphenyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]propanamide
CID 110888819

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-N-(2-hydroxy-2-phenylethyl)propanamide?
The IUPAC name of 3-(4-aminophenyl)-N-(2-hydroxy-2-phenylethyl)propanamide (CID 61036910) is 3-(4-aminophenyl)-N-(2-hydroxy-2-phenylethyl)propanamide.
What is the SMILES notation for 3-(4-aminophenyl)-N-(2-hydroxy-2-phenylethyl)propanamide?
The canonical SMILES for 3-(4-aminophenyl)-N-(2-hydroxy-2-phenylethyl)propanamide is Nc1ccc(CCC(=O)NCC(O)c2ccccc2)cc1.
What is the InChIKey of 3-(4-aminophenyl)-N-(2-hydroxy-2-phenylethyl)propanamide?
The InChIKey is QZYGXMRTYCZWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c18-15-9-6-13(7-10-15)8-11-17(21)19-12-16(20)14-4-2-1-3-5-14/h1-7,9-10,16,20H,8,11-12,18H2,(H,19,21).
What are the key properties of 3-(4-aminophenyl)-N-(2-hydroxy-2-phenylethyl)propanamide?
3-(4-aminophenyl)-N-(2-hydroxy-2-phenylethyl)propanamide has a molecular weight of 284.36 g/mol, XLogP of 2.05, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-N-(2-hydroxy-2-phenylethyl)propanamide is sourced from PubChem (CID 61036910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).