2-[[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]amino]oxyacetamide

C13H20N2O4 — CID 112673832

IUPAC2-[[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]amino]oxyacetamide
SMILESCc1ccc(C)c(OCC(O)CNOCC(N)=O)c1
InChIInChI=1S/C13H20N2O4/c1-9-3-4-10(2)12(5-9)18-7-11(16)6-15-19-8-13(14)17/h3-5,11,15-16H,6-8H2,1-2H3,(H2,14,17)
InChIKeyLCUAVTBQSHKSDG-UHFFFAOYSA-N
MW268.31 g/mol
LogP0.05
Rot. Bonds8

About 2-[[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]amino]oxyacetamide

2-[[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]amino]oxyacetamide (PubChem CID 112673832) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is 2-[[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]amino]oxyacetamide.

Molecular Properties

Compound Name2-[[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]amino]oxyacetamide
PubChem CID112673832
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name2-[[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]amino]oxyacetamide
SMILESCc1ccc(C)c(OCC(O)CNOCC(N)=O)c1
InChIInChI=1S/C13H20N2O4/c1-9-3-4-10(2)12(5-9)18-7-11(16)6-15-19-8-13(14)17/h3-5,11,15-16H,6-8H2,1-2H3,(H2,14,17)
InChIKeyLCUAVTBQSHKSDG-UHFFFAOYSA-N
XLogP0.05
TPSA93.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 50.05
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'}

Analyze 2-[[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]amino]oxyacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]amino]-3-methylbutanamide
CID 103914070
1-[[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]amino]cyclopentane-1-carboxamide
CID 111825613
(2S)-1-chloro-3-(2,5-dimethylphenoxy)propan-2-ol
CID 101343601
[(2S)-3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-trimethylazanium
CID 6940353
2-[[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]amino]-N-propan-2-ylacetamide
CID 60909776
1-(2,5-dimethylphenoxy)-3-(4-methylpentylamino)propan-2-ol
CID 60745298
1-(2,5-dimethylphenoxy)-3-[[1-(hydroxymethyl)cyclopentyl]amino]propan-2-ol
CID 62517402
1-(2,5-dimethylphenoxy)-3-(2-methoxypropylamino)propan-2-ol
CID 102697861
1-(2,5-dimethylphenoxy)-3-(2-methoxyethylamino)propan-2-ol
CID 60632864
1-(cyclobutylamino)-3-(2,5-dimethylphenoxy)propan-2-ol
CID 62415346
1-(2,5-dimethylphenoxy)-3-(pyrrol-1-ylamino)propan-2-ol
CID 79100094
1-(2,5-dimethylphenoxy)-3-(3-methylpentan-2-ylamino)propan-2-ol
CID 61463540

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]amino]oxyacetamide?
The IUPAC name of 2-[[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]amino]oxyacetamide (CID 112673832) is 2-[[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]amino]oxyacetamide.
What is the SMILES notation for 2-[[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]amino]oxyacetamide?
The canonical SMILES for 2-[[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]amino]oxyacetamide is Cc1ccc(C)c(OCC(O)CNOCC(N)=O)c1.
What is the InChIKey of 2-[[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]amino]oxyacetamide?
The InChIKey is LCUAVTBQSHKSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-9-3-4-10(2)12(5-9)18-7-11(16)6-15-19-8-13(14)17/h3-5,11,15-16H,6-8H2,1-2H3,(H2,14,17).
What are the key properties of 2-[[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]amino]oxyacetamide?
2-[[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]amino]oxyacetamide has a molecular weight of 268.31 g/mol, XLogP of 0.05, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]amino]oxyacetamide is sourced from PubChem (CID 112673832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).