2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]oxyacetamide

C12H18N2O5 — CID 112673778

IUPAC2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]oxyacetamide
SMILESCOc1ccc(OCC(O)CNOCC(N)=O)cc1
InChIInChI=1S/C12H18N2O5/c1-17-10-2-4-11(5-3-10)18-7-9(15)6-14-19-8-12(13)16/h2-5,9,14-15H,6-8H2,1H3,(H2,13,16)
InChIKeyPWCJVTOUPPNBNO-UHFFFAOYSA-N
MW270.28 g/mol
LogP-0.56
Rot. Bonds9

About 2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]oxyacetamide

2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]oxyacetamide (PubChem CID 112673778) has the molecular formula C12H18N2O5 and a molecular weight of 270.28 g/mol. Its IUPAC name is 2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]oxyacetamide.

Molecular Properties

Compound Name2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]oxyacetamide
PubChem CID112673778
Molecular FormulaC12H18N2O5
Molecular Weight270.28 g/mol
Exact Mass270.12
IUPAC Name2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]oxyacetamide
SMILESCOc1ccc(OCC(O)CNOCC(N)=O)cc1
InChIInChI=1S/C12H18N2O5/c1-17-10-2-4-11(5-3-10)18-7-9(15)6-14-19-8-12(13)16/h2-5,9,14-15H,6-8H2,1H3,(H2,13,16)
InChIKeyPWCJVTOUPPNBNO-UHFFFAOYSA-N
XLogP-0.56
TPSA103.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 5-0.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-[[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]amino]oxyacetamide
CID 112673832
methyl 2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]acetate
CID 60904602
2-[(3-ethoxy-2-hydroxypropyl)amino]oxyacetamide
CID 112674030
1-(4-methoxyanilino)-3-(4-methoxyphenoxy)propan-2-ol
CID 16800318
2-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]oxyacetamide
CID 112673959
1-(4-methoxyphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 559347
4-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]butan-2-ol
CID 64913738
2-[[3-(4-chlorophenoxy)-2-hydroxypropyl]amino]propanamide
CID 54938620
1-(4-methoxyphenoxy)-3-(pentan-3-ylamino)propan-2-ol
CID 60635112
(2S)-2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]-3-methylbutan-1-ol
CID 79250156
1-(4-chlorophenoxy)-3-(4-methoxyanilino)propan-2-ol
CID 23856239
2-(2,3-dihydroxypropylamino)oxyacetamide
CID 112673854

Frequently Asked Questions

What is the IUPAC name of 2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]oxyacetamide?
The IUPAC name of 2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]oxyacetamide (CID 112673778) is 2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]oxyacetamide.
What is the SMILES notation for 2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]oxyacetamide?
The canonical SMILES for 2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]oxyacetamide is COc1ccc(OCC(O)CNOCC(N)=O)cc1.
What is the InChIKey of 2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]oxyacetamide?
The InChIKey is PWCJVTOUPPNBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O5/c1-17-10-2-4-11(5-3-10)18-7-9(15)6-14-19-8-12(13)16/h2-5,9,14-15H,6-8H2,1H3,(H2,13,16).
What are the key properties of 2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]oxyacetamide?
2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]oxyacetamide has a molecular weight of 270.28 g/mol, XLogP of -0.56, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]oxyacetamide is sourced from PubChem (CID 112673778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).