2-cyclooct-2-yn-1-yloxy-N-[2-(cyclopenta-1,3-dien-1-ylmethoxy)ethyl]acetamide

C18H25NO3 — CID 88555240

IUPAC2-cyclooct-2-yn-1-yloxy-N-[2-(cyclopenta-1,3-dien-1-ylmethoxy)ethyl]acetamide
SMILESO=C(COC1C#CCCCCC1)NCCOCC1=CC=CC1
InChIInChI=1S/C18H25NO3/c20-18(15-22-17-10-4-2-1-3-5-11-17)19-12-13-21-14-16-8-6-7-9-16/h6-8,17H,1-4,9-10,12-15H2,(H,19,20)
InChIKeyXLZZHZRHUFEHJN-UHFFFAOYSA-N
MW303.40 g/mol
LogP2.36
Rot. Bonds8

About 2-cyclooct-2-yn-1-yloxy-N-[2-(cyclopenta-1,3-dien-1-ylmethoxy)ethyl]acetamide

2-cyclooct-2-yn-1-yloxy-N-[2-(cyclopenta-1,3-dien-1-ylmethoxy)ethyl]acetamide (PubChem CID 88555240) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is 2-cyclooct-2-yn-1-yloxy-N-[2-(cyclopenta-1,3-dien-1-ylmethoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-cyclooct-2-yn-1-yloxy-N-[2-(cyclopenta-1,3-dien-1-ylmethoxy)ethyl]acetamide
PubChem CID88555240
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name2-cyclooct-2-yn-1-yloxy-N-[2-(cyclopenta-1,3-dien-1-ylmethoxy)ethyl]acetamide
SMILESO=C(COC1C#CCCCCC1)NCCOCC1=CC=CC1
InChIInChI=1S/C18H25NO3/c20-18(15-22-17-10-4-2-1-3-5-11-17)19-12-13-21-14-16-8-6-7-9-16/h6-8,17H,1-4,9-10,12-15H2,(H,19,20)
InChIKeyXLZZHZRHUFEHJN-UHFFFAOYSA-N
XLogP2.36
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclooct-2-yn-1-yloxy-N-[2-(cyclopenta-1,3-dien-1-ylmethoxy)ethyl]acetamide?
The IUPAC name of 2-cyclooct-2-yn-1-yloxy-N-[2-(cyclopenta-1,3-dien-1-ylmethoxy)ethyl]acetamide (CID 88555240) is 2-cyclooct-2-yn-1-yloxy-N-[2-(cyclopenta-1,3-dien-1-ylmethoxy)ethyl]acetamide.
What is the SMILES notation for 2-cyclooct-2-yn-1-yloxy-N-[2-(cyclopenta-1,3-dien-1-ylmethoxy)ethyl]acetamide?
The canonical SMILES for 2-cyclooct-2-yn-1-yloxy-N-[2-(cyclopenta-1,3-dien-1-ylmethoxy)ethyl]acetamide is O=C(COC1C#CCCCCC1)NCCOCC1=CC=CC1.
What is the InChIKey of 2-cyclooct-2-yn-1-yloxy-N-[2-(cyclopenta-1,3-dien-1-ylmethoxy)ethyl]acetamide?
The InChIKey is XLZZHZRHUFEHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c20-18(15-22-17-10-4-2-1-3-5-11-17)19-12-13-21-14-16-8-6-7-9-16/h6-8,17H,1-4,9-10,12-15H2,(H,19,20).
What are the key properties of 2-cyclooct-2-yn-1-yloxy-N-[2-(cyclopenta-1,3-dien-1-ylmethoxy)ethyl]acetamide?
2-cyclooct-2-yn-1-yloxy-N-[2-(cyclopenta-1,3-dien-1-ylmethoxy)ethyl]acetamide has a molecular weight of 303.40 g/mol, XLogP of 2.36, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclooct-2-yn-1-yloxy-N-[2-(cyclopenta-1,3-dien-1-ylmethoxy)ethyl]acetamide is sourced from PubChem (CID 88555240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).