2-(2-tricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-ynyloxy)acetamide

C18H15NO2 — CID 121324023

IUPAC2-(2-tricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-ynyloxy)acetamide
SMILESNC(=O)COC1Cc2ccccc2C#Cc2ccccc21
InChIInChI=1S/C18H15NO2/c19-18(20)12-21-17-11-15-7-2-1-5-13(15)9-10-14-6-3-4-8-16(14)17/h1-8,17H,11-12H2,(H2,19,20)
InChIKeyXOJNEINREGKBFY-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.19
Rot. Bonds3

About 2-(2-tricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-ynyloxy)acetamide

2-(2-tricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-ynyloxy)acetamide (PubChem CID 121324023) has the molecular formula C18H15NO2 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-(2-tricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-ynyloxy)acetamide.

Molecular Properties

Compound Name2-(2-tricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-ynyloxy)acetamide
PubChem CID121324023
Molecular FormulaC18H15NO2
Molecular Weight277.32 g/mol
Exact Mass277.11
IUPAC Name2-(2-tricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-ynyloxy)acetamide
SMILESNC(=O)COC1Cc2ccccc2C#Cc2ccccc21
InChIInChI=1S/C18H15NO2/c19-18(20)12-21-17-11-15-7-2-1-5-13(15)9-10-14-6-3-4-8-16(14)17/h1-8,17H,11-12H2,(H2,19,20)
InChIKeyXOJNEINREGKBFY-UHFFFAOYSA-N
XLogP2.19
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-tricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-ynyloxy)acetamide?
The IUPAC name of 2-(2-tricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-ynyloxy)acetamide (CID 121324023) is 2-(2-tricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-ynyloxy)acetamide.
What is the SMILES notation for 2-(2-tricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-ynyloxy)acetamide?
The canonical SMILES for 2-(2-tricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-ynyloxy)acetamide is NC(=O)COC1Cc2ccccc2C#Cc2ccccc21.
What is the InChIKey of 2-(2-tricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-ynyloxy)acetamide?
The InChIKey is XOJNEINREGKBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2/c19-18(20)12-21-17-11-15-7-2-1-5-13(15)9-10-14-6-3-4-8-16(14)17/h1-8,17H,11-12H2,(H2,19,20).
What are the key properties of 2-(2-tricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-ynyloxy)acetamide?
2-(2-tricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-ynyloxy)acetamide has a molecular weight of 277.32 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-ynyloxy)acetamide is sourced from PubChem (CID 121324023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).