N-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide

C17H25NO4 — CID 154803510

IUPACN-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESC#CCOCCOCCOCCNC(=O)C1CC2C=CC1C2
InChIInChI=1S/C17H25NO4/c1-2-6-20-8-10-22-11-9-21-7-5-18-17(19)16-13-14-3-4-15(16)12-14/h1,3-4,14-16H,5-13H2,(H,18,19)
InChIKeyHZNHTPACNRPJKE-UHFFFAOYSA-N
MW307.39 g/mol
LogP1.00
Rot. Bonds11

About N-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide

N-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide (PubChem CID 154803510) has the molecular formula C17H25NO4 and a molecular weight of 307.39 g/mol. Its IUPAC name is N-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
PubChem CID154803510
Molecular FormulaC17H25NO4
Molecular Weight307.39 g/mol
Exact Mass307.18
IUPAC NameN-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESC#CCOCCOCCOCCNC(=O)C1CC2C=CC1C2
InChIInChI=1S/C17H25NO4/c1-2-6-20-8-10-22-11-9-21-7-5-18-17(19)16-13-14-3-4-15(16)12-14/h1,3-4,14-16H,5-13H2,(H,18,19)
InChIKeyHZNHTPACNRPJKE-UHFFFAOYSA-N
XLogP1.00
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The IUPAC name of N-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide (CID 154803510) is N-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide.
What is the SMILES notation for N-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The canonical SMILES for N-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide is C#CCOCCOCCOCCNC(=O)C1CC2C=CC1C2.
What is the InChIKey of N-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The InChIKey is HZNHTPACNRPJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO4/c1-2-6-20-8-10-22-11-9-21-7-5-18-17(19)16-13-14-3-4-15(16)12-14/h1,3-4,14-16H,5-13H2,(H,18,19).
What are the key properties of N-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide?
N-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide has a molecular weight of 307.39 g/mol, XLogP of 1.00, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide is sourced from PubChem (CID 154803510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).