2-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]oxyacetamide

C13H20N2O4 — CID 112673959

IUPAC2-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]oxyacetamide
SMILESCC(OCC(O)CNOCC(N)=O)c1ccccc1
InChIInChI=1S/C13H20N2O4/c1-10(11-5-3-2-4-6-11)18-8-12(16)7-15-19-9-13(14)17/h2-6,10,12,15-16H,7-9H2,1H3,(H2,14,17)
InChIKeyLGJCCGBITCACTB-UHFFFAOYSA-N
MW268.31 g/mol
LogP0.13
Rot. Bonds9

About 2-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]oxyacetamide

2-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]oxyacetamide (PubChem CID 112673959) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is 2-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]oxyacetamide.

Molecular Properties

Compound Name2-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]oxyacetamide
PubChem CID112673959
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name2-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]oxyacetamide
SMILESCC(OCC(O)CNOCC(N)=O)c1ccccc1
InChIInChI=1S/C13H20N2O4/c1-10(11-5-3-2-4-6-11)18-8-12(16)7-15-19-9-13(14)17/h2-6,10,12,15-16H,7-9H2,1H3,(H2,14,17)
InChIKeyLGJCCGBITCACTB-UHFFFAOYSA-N
XLogP0.13
TPSA93.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]ethylurea
CID 83121787
2-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]oxyacetamide
CID 112673777
2-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]-N-propan-2-ylacetamide
CID 60910597
2-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]-N-methylacetamide
CID 60901591
N-[(2R)-2-hydroxy-3-[(1R)-1-phenylethoxy]propyl]cyclopentanecarboxamide
CID 94800865
2-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]-3-methylbutan-1-ol
CID 79250235
(2S)-2-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]-3-methylbutan-1-ol
CID 79249364
methyl 3-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]propanoate
CID 60925192
2-[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]oxyacetamide
CID 112673643
2-[(3-ethoxy-2-hydroxypropyl)amino]oxyacetamide
CID 112674030
2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]oxyacetamide
CID 112673778
1-(1-phenylethoxy)-3-(2,3,3-trimethylbutylamino)propan-2-ol
CID 83142673

Frequently Asked Questions

What is the IUPAC name of 2-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]oxyacetamide?
The IUPAC name of 2-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]oxyacetamide (CID 112673959) is 2-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]oxyacetamide.
What is the SMILES notation for 2-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]oxyacetamide?
The canonical SMILES for 2-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]oxyacetamide is CC(OCC(O)CNOCC(N)=O)c1ccccc1.
What is the InChIKey of 2-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]oxyacetamide?
The InChIKey is LGJCCGBITCACTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-10(11-5-3-2-4-6-11)18-8-12(16)7-15-19-9-13(14)17/h2-6,10,12,15-16H,7-9H2,1H3,(H2,14,17).
What are the key properties of 2-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]oxyacetamide?
2-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]oxyacetamide has a molecular weight of 268.31 g/mol, XLogP of 0.13, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]oxyacetamide is sourced from PubChem (CID 112673959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).