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

C17H20N2O2 — CID 106591189

IUPAC2-(3-aminophenyl)-N-[2-(4-hydroxyphenyl)ethyl]propanamide
SMILESCC(C(=O)NCCc1ccc(O)cc1)c1cccc(N)c1
InChIInChI=1S/C17H20N2O2/c1-12(14-3-2-4-15(18)11-14)17(21)19-10-9-13-5-7-16(20)8-6-13/h2-8,11-12,20H,9-10,18H2,1H3,(H,19,21)
InChIKeyUANNJMZSRSIVKH-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.44
Rot. Bonds5

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

2-(3-aminophenyl)-N-[2-(4-hydroxyphenyl)ethyl]propanamide (PubChem CID 106591189) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-(3-aminophenyl)-N-[2-(4-hydroxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name2-(3-aminophenyl)-N-[2-(4-hydroxyphenyl)ethyl]propanamide
PubChem CID106591189
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name2-(3-aminophenyl)-N-[2-(4-hydroxyphenyl)ethyl]propanamide
SMILESCC(C(=O)NCCc1ccc(O)cc1)c1cccc(N)c1
InChIInChI=1S/C17H20N2O2/c1-12(14-3-2-4-15(18)11-14)17(21)19-10-9-13-5-7-16(20)8-6-13/h2-8,11-12,20H,9-10,18H2,1H3,(H,19,21)
InChIKeyUANNJMZSRSIVKH-UHFFFAOYSA-N
XLogP2.44
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-aminophenyl)-N-(3,3-dimethylbutyl)propanamide
CID 106591847
2-(3-aminophenyl)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 106590796
2-(3-aminophenyl)-N-(4-methylpentyl)propanamide
CID 106591173
2-(3-aminophenyl)-N-(3-methyl-2-propan-2-ylbutyl)propanamide
CID 106591920
2-(3-aminophenyl)-N-(2-ethyl-2-hydroxybutyl)propanamide
CID 106591538
2-(3-aminophenyl)-N-[(3,4-difluorophenyl)methyl]propanamide
CID 106591266
2-(3-aminophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]propanamide
CID 106591544
2-(3-aminophenyl)-N-(2-phenylpropyl)propanamide
CID 106591039
tert-butyl N-[2-[2-(3-aminophenyl)propanoylamino]ethyl]carbamate
CID 106591886
2-chloro-N-[2-(4-hydroxyphenyl)ethyl]-2-phenylacetamide
CID 61239080
2-(3-aminophenyl)-N-(2,3,3-trimethylbutyl)propanamide
CID 106591730
2-(3-aminophenyl)-N-(4-propan-2-yloxybutyl)propanamide
CID 106006140

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-N-[2-(4-hydroxyphenyl)ethyl]propanamide?
The IUPAC name of 2-(3-aminophenyl)-N-[2-(4-hydroxyphenyl)ethyl]propanamide (CID 106591189) is 2-(3-aminophenyl)-N-[2-(4-hydroxyphenyl)ethyl]propanamide.
What is the SMILES notation for 2-(3-aminophenyl)-N-[2-(4-hydroxyphenyl)ethyl]propanamide?
The canonical SMILES for 2-(3-aminophenyl)-N-[2-(4-hydroxyphenyl)ethyl]propanamide is CC(C(=O)NCCc1ccc(O)cc1)c1cccc(N)c1.
What is the InChIKey of 2-(3-aminophenyl)-N-[2-(4-hydroxyphenyl)ethyl]propanamide?
The InChIKey is UANNJMZSRSIVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-12(14-3-2-4-15(18)11-14)17(21)19-10-9-13-5-7-16(20)8-6-13/h2-8,11-12,20H,9-10,18H2,1H3,(H,19,21).
What are the key properties of 2-(3-aminophenyl)-N-[2-(4-hydroxyphenyl)ethyl]propanamide?
2-(3-aminophenyl)-N-[2-(4-hydroxyphenyl)ethyl]propanamide has a molecular weight of 284.36 g/mol, XLogP of 2.44, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-N-[2-(4-hydroxyphenyl)ethyl]propanamide is sourced from PubChem (CID 106591189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).