N-(8-oxononyl)-2-phenoxyacetamide

C17H25NO3 — CID 157092159

IUPACN-(8-oxononyl)-2-phenoxyacetamide
SMILESCC(=O)CCCCCCCNC(=O)COc1ccccc1
InChIInChI=1S/C17H25NO3/c1-15(19)10-6-3-2-4-9-13-18-17(20)14-21-16-11-7-5-8-12-16/h5,7-8,11-12H,2-4,6,9-10,13-14H2,1H3,(H,18,20)
InChIKeyAEUCWDUITQUHBC-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.11
Rot. Bonds11

About N-(8-oxononyl)-2-phenoxyacetamide

N-(8-oxononyl)-2-phenoxyacetamide (PubChem CID 157092159) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-(8-oxononyl)-2-phenoxyacetamide.

Molecular Properties

Compound NameN-(8-oxononyl)-2-phenoxyacetamide
PubChem CID157092159
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC NameN-(8-oxononyl)-2-phenoxyacetamide
SMILESCC(=O)CCCCCCCNC(=O)COc1ccccc1
InChIInChI=1S/C17H25NO3/c1-15(19)10-6-3-2-4-9-13-18-17(20)14-21-16-11-7-5-8-12-16/h5,7-8,11-12H,2-4,6,9-10,13-14H2,1H3,(H,18,20)
InChIKeyAEUCWDUITQUHBC-UHFFFAOYSA-N
XLogP3.11
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetamidobutyl)-2-phenoxyacetamide
CID 110358551
N-(6-bromohexyl)-2-phenoxyacetamide
CID 114008509
N-[4-(diethylamino)butyl]-2-phenoxyacetamide
CID 110442217
N-hex-5-ynyl-2-phenoxyacetamide
CID 103758132
N-[5-(1,3-dihydroxypropan-2-yloxy)pentyl]-2-phenoxyacetamide
CID 139623089
[2-(dodecylamino)-2-oxoethyl]-dimethyl-[2-[(2-phenoxyacetyl)amino]ethyl]azanium
CID 175685519
N-(3-methylbutyl)-2-phenoxyacetamide
CID 2905656
N-(3-amino-3-sulfanylidenepropyl)-2-phenoxyacetamide
CID 62666698
2-(4-bromophenoxy)-N-(3-phenoxypropyl)acetamide
CID 9245994
2-phenoxy-N-(3-sulfamoylpropyl)acetamide
CID 47336951
methyl 6-[[2-(4-chlorophenoxy)acetyl]amino]hexanoate
CID 43404589
methyl (2R)-2,6-bis[(2-phenoxyacetyl)amino]hexanoate
CID 7897076

Frequently Asked Questions

What is the IUPAC name of N-(8-oxononyl)-2-phenoxyacetamide?
The IUPAC name of N-(8-oxononyl)-2-phenoxyacetamide (CID 157092159) is N-(8-oxononyl)-2-phenoxyacetamide.
What is the SMILES notation for N-(8-oxononyl)-2-phenoxyacetamide?
The canonical SMILES for N-(8-oxononyl)-2-phenoxyacetamide is CC(=O)CCCCCCCNC(=O)COc1ccccc1.
What is the InChIKey of N-(8-oxononyl)-2-phenoxyacetamide?
The InChIKey is AEUCWDUITQUHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-15(19)10-6-3-2-4-9-13-18-17(20)14-21-16-11-7-5-8-12-16/h5,7-8,11-12H,2-4,6,9-10,13-14H2,1H3,(H,18,20).
What are the key properties of N-(8-oxononyl)-2-phenoxyacetamide?
N-(8-oxononyl)-2-phenoxyacetamide has a molecular weight of 291.39 g/mol, XLogP of 3.11, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-oxononyl)-2-phenoxyacetamide is sourced from PubChem (CID 157092159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).