N-hex-5-ynyl-2-phenoxyacetamide

C14H17NO2 — CID 103758132

IUPACN-hex-5-ynyl-2-phenoxyacetamide
SMILESC#CCCCCNC(=O)COc1ccccc1
InChIInChI=1S/C14H17NO2/c1-2-3-4-8-11-15-14(16)12-17-13-9-6-5-7-10-13/h1,5-7,9-10H,3-4,8,11-12H2,(H,15,16)
InChIKeyMWIKDCMHTKJGMQ-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.99
Rot. Bonds7

About N-hex-5-ynyl-2-phenoxyacetamide

N-hex-5-ynyl-2-phenoxyacetamide (PubChem CID 103758132) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is N-hex-5-ynyl-2-phenoxyacetamide.

Molecular Properties

Compound NameN-hex-5-ynyl-2-phenoxyacetamide
PubChem CID103758132
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC NameN-hex-5-ynyl-2-phenoxyacetamide
SMILESC#CCCCCNC(=O)COc1ccccc1
InChIInChI=1S/C14H17NO2/c1-2-3-4-8-11-15-14(16)12-17-13-9-6-5-7-10-13/h1,5-7,9-10H,3-4,8,11-12H2,(H,15,16)
InChIKeyMWIKDCMHTKJGMQ-UHFFFAOYSA-N
XLogP1.99
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetamidobutyl)-2-phenoxyacetamide
CID 110358551
phenyl N-hex-5-ynylcarbamate
CID 103758023
N-(6-bromohexyl)-2-phenoxyacetamide
CID 114008509
N-(8-oxononyl)-2-phenoxyacetamide
CID 157092159
2-(2-aminophenoxy)-N-pent-4-ynylacetamide
CID 106219762
N-[4-(diethylamino)butyl]-2-phenoxyacetamide
CID 110442217
N-but-3-ynyl-2-pyridin-3-yloxyacetamide
CID 90537853
2-(4-bromophenoxy)-N-(3-phenoxypropyl)acetamide
CID 9245994
2-phenoxy-N-(3-sulfamoylpropyl)acetamide
CID 47336951
N-[5-(1,3-dihydroxypropan-2-yloxy)pentyl]-2-phenoxyacetamide
CID 139623089
N-(hydroxymethyl)-2-phenoxyacetamide
CID 12769641
N-(3-methylbutyl)-2-phenoxyacetamide
CID 2905656

Frequently Asked Questions

What is the IUPAC name of N-hex-5-ynyl-2-phenoxyacetamide?
The IUPAC name of N-hex-5-ynyl-2-phenoxyacetamide (CID 103758132) is N-hex-5-ynyl-2-phenoxyacetamide.
What is the SMILES notation for N-hex-5-ynyl-2-phenoxyacetamide?
The canonical SMILES for N-hex-5-ynyl-2-phenoxyacetamide is C#CCCCCNC(=O)COc1ccccc1.
What is the InChIKey of N-hex-5-ynyl-2-phenoxyacetamide?
The InChIKey is MWIKDCMHTKJGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-2-3-4-8-11-15-14(16)12-17-13-9-6-5-7-10-13/h1,5-7,9-10H,3-4,8,11-12H2,(H,15,16).
What are the key properties of N-hex-5-ynyl-2-phenoxyacetamide?
N-hex-5-ynyl-2-phenoxyacetamide has a molecular weight of 231.30 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-5-ynyl-2-phenoxyacetamide is sourced from PubChem (CID 103758132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).