2-(2-aminophenoxy)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide

C16H18N2O3 — CID 107861749

IUPAC2-(2-aminophenoxy)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide
SMILESNc1ccccc1OCC(=O)N[C@H](CO)c1ccccc1
InChIInChI=1S/C16H18N2O3/c17-13-8-4-5-9-15(13)21-11-16(20)18-14(10-19)12-6-2-1-3-7-12/h1-9,14,19H,10-11,17H2,(H,18,20)/t14-/m1/s1
InChIKeyWPDGMTCJKOLRFK-CQSZACIVSA-N
MW286.33 g/mol
LogP1.50
Rot. Bonds6

About 2-(2-aminophenoxy)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide

2-(2-aminophenoxy)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide (PubChem CID 107861749) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-(2-aminophenoxy)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-(2-aminophenoxy)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide
PubChem CID107861749
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name2-(2-aminophenoxy)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide
SMILESNc1ccccc1OCC(=O)N[C@H](CO)c1ccccc1
InChIInChI=1S/C16H18N2O3/c17-13-8-4-5-9-15(13)21-11-16(20)18-14(10-19)12-6-2-1-3-7-12/h1-9,14,19H,10-11,17H2,(H,18,20)/t14-/m1/s1
InChIKeyWPDGMTCJKOLRFK-CQSZACIVSA-N
XLogP1.50
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-hydroxyphenoxy)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide
CID 103945081
2-(2-fluorophenoxy)-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
CID 103772671
N-[(1R)-2-hydroxy-1-phenylethyl]-2-phenoxyacetamide
CID 39370051
2-(2,5-dichlorophenoxy)-N-(2-hydroxy-1-phenylethyl)acetamide
CID 110931209
2-ethoxy-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide
CID 103944946
2-ethoxy-N-(2-hydroxy-1-phenylethyl)acetamide
CID 63184517
2-butan-2-yloxy-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide
CID 110001669
3-[[2-(2-ethoxyphenoxy)acetyl]amino]-3-phenylpropanoic acid
CID 45461296
2-(2-aminophenoxy)-N-hexan-2-ylacetamide
CID 62197710
2-(2-aminophenoxy)-N-(1-thiophen-3-ylethyl)acetamide
CID 62840774
2-(2-chlorophenoxy)-N-[(1S)-2-(dimethylamino)-1-phenylethyl]acetamide
CID 8936701
2-(4-aminophenyl)-N-(2-hydroxy-1-phenylethyl)acetamide
CID 63184600

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenoxy)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide?
The IUPAC name of 2-(2-aminophenoxy)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide (CID 107861749) is 2-(2-aminophenoxy)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide.
What is the SMILES notation for 2-(2-aminophenoxy)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide?
The canonical SMILES for 2-(2-aminophenoxy)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide is Nc1ccccc1OCC(=O)N[C@H](CO)c1ccccc1.
What is the InChIKey of 2-(2-aminophenoxy)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide?
The InChIKey is WPDGMTCJKOLRFK-CQSZACIVSA-N. The full InChI is InChI=1S/C16H18N2O3/c17-13-8-4-5-9-15(13)21-11-16(20)18-14(10-19)12-6-2-1-3-7-12/h1-9,14,19H,10-11,17H2,(H,18,20)/t14-/m1/s1.
What are the key properties of 2-(2-aminophenoxy)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide?
2-(2-aminophenoxy)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide has a molecular weight of 286.33 g/mol, XLogP of 1.50, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenoxy)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide is sourced from PubChem (CID 107861749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).