N-[5-(1,3-dihydroxypropan-2-yloxy)pentyl]-2-phenoxyacetamide

C16H25NO5 — CID 139623089

IUPACN-[5-(1,3-dihydroxypropan-2-yloxy)pentyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NCCCCCOC(CO)CO
InChIInChI=1S/C16H25NO5/c18-11-15(12-19)21-10-6-2-5-9-17-16(20)13-22-14-7-3-1-4-8-14/h1,3-4,7-8,15,18-19H,2,5-6,9-13H2,(H,17,20)
InChIKeyNXWPMQSONSPQMF-UHFFFAOYSA-N
MW311.38 g/mol
LogP0.72
Rot. Bonds12

About N-[5-(1,3-dihydroxypropan-2-yloxy)pentyl]-2-phenoxyacetamide

N-[5-(1,3-dihydroxypropan-2-yloxy)pentyl]-2-phenoxyacetamide (PubChem CID 139623089) has the molecular formula C16H25NO5 and a molecular weight of 311.38 g/mol. Its IUPAC name is N-[5-(1,3-dihydroxypropan-2-yloxy)pentyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[5-(1,3-dihydroxypropan-2-yloxy)pentyl]-2-phenoxyacetamide
PubChem CID139623089
Molecular FormulaC16H25NO5
Molecular Weight311.38 g/mol
Exact Mass311.17
IUPAC NameN-[5-(1,3-dihydroxypropan-2-yloxy)pentyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NCCCCCOC(CO)CO
InChIInChI=1S/C16H25NO5/c18-11-15(12-19)21-10-6-2-5-9-17-16(20)13-22-14-7-3-1-4-8-14/h1,3-4,7-8,15,18-19H,2,5-6,9-13H2,(H,17,20)
InChIKeyNXWPMQSONSPQMF-UHFFFAOYSA-N
XLogP0.72
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(6-bromohexyl)-2-phenoxyacetamide
CID 114008509
N-(4-acetamidobutyl)-2-phenoxyacetamide
CID 110358551
N-(8-oxononyl)-2-phenoxyacetamide
CID 157092159
N-hex-5-ynyl-2-phenoxyacetamide
CID 103758132
2-(4-bromophenoxy)-N-(3-phenoxypropyl)acetamide
CID 9245994
N-(hydroxymethyl)-2-phenoxyacetamide
CID 12769641
N-[4-(diethylamino)butyl]-2-phenoxyacetamide
CID 110442217
2-[4-(cyanomethyl)phenoxy]-N-[3-(1-phenylethoxy)propyl]acetamide
CID 60513974
3-[2-oxo-2-(3-propan-2-yloxypropylamino)ethoxy]benzoic acid
CID 43214917
N-(3-methylbutyl)-2-phenoxyacetamide
CID 2905656
N-[2-[(2-phenoxyacetyl)amino]ethyl]-2-(2-phenoxyethoxy)acetamide
CID 47045190
2-phenoxy-N-(3-sulfamoylpropyl)acetamide
CID 47336951

Frequently Asked Questions

What is the IUPAC name of N-[5-(1,3-dihydroxypropan-2-yloxy)pentyl]-2-phenoxyacetamide?
The IUPAC name of N-[5-(1,3-dihydroxypropan-2-yloxy)pentyl]-2-phenoxyacetamide (CID 139623089) is N-[5-(1,3-dihydroxypropan-2-yloxy)pentyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[5-(1,3-dihydroxypropan-2-yloxy)pentyl]-2-phenoxyacetamide?
The canonical SMILES for N-[5-(1,3-dihydroxypropan-2-yloxy)pentyl]-2-phenoxyacetamide is O=C(COc1ccccc1)NCCCCCOC(CO)CO.
What is the InChIKey of N-[5-(1,3-dihydroxypropan-2-yloxy)pentyl]-2-phenoxyacetamide?
The InChIKey is NXWPMQSONSPQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO5/c18-11-15(12-19)21-10-6-2-5-9-17-16(20)13-22-14-7-3-1-4-8-14/h1,3-4,7-8,15,18-19H,2,5-6,9-13H2,(H,17,20).
What are the key properties of N-[5-(1,3-dihydroxypropan-2-yloxy)pentyl]-2-phenoxyacetamide?
N-[5-(1,3-dihydroxypropan-2-yloxy)pentyl]-2-phenoxyacetamide has a molecular weight of 311.38 g/mol, XLogP of 0.72, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,3-dihydroxypropan-2-yloxy)pentyl]-2-phenoxyacetamide is sourced from PubChem (CID 139623089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).