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

C15H21NO3 — CID 154803511

IUPACN-[2-(2-prop-2-ynoxyethoxy)ethyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESC#CCOCCOCCNC(=O)C1CC2C=CC1C2
InChIInChI=1S/C15H21NO3/c1-2-6-18-8-9-19-7-5-16-15(17)14-11-12-3-4-13(14)10-12/h1,3-4,12-14H,5-11H2,(H,16,17)
InChIKeyRZHIKEUJZOOJML-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.98
Rot. Bonds8

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

N-[2-(2-prop-2-ynoxyethoxy)ethyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide (PubChem CID 154803511) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[2-(2-prop-2-ynoxyethoxy)ethyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-prop-2-ynoxyethoxy)ethyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
PubChem CID154803511
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC NameN-[2-(2-prop-2-ynoxyethoxy)ethyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESC#CCOCCOCCNC(=O)C1CC2C=CC1C2
InChIInChI=1S/C15H21NO3/c1-2-6-18-8-9-19-7-5-16-15(17)14-11-12-3-4-13(14)10-12/h1,3-4,12-14H,5-11H2,(H,16,17)
InChIKeyRZHIKEUJZOOJML-UHFFFAOYSA-N
XLogP0.98
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-prop-2-ynoxyethoxy)ethyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The IUPAC name of N-[2-(2-prop-2-ynoxyethoxy)ethyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide (CID 154803511) is N-[2-(2-prop-2-ynoxyethoxy)ethyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide.
What is the SMILES notation for N-[2-(2-prop-2-ynoxyethoxy)ethyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The canonical SMILES for N-[2-(2-prop-2-ynoxyethoxy)ethyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide is C#CCOCCOCCNC(=O)C1CC2C=CC1C2.
What is the InChIKey of N-[2-(2-prop-2-ynoxyethoxy)ethyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The InChIKey is RZHIKEUJZOOJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-2-6-18-8-9-19-7-5-16-15(17)14-11-12-3-4-13(14)10-12/h1,3-4,12-14H,5-11H2,(H,16,17).
What are the key properties of N-[2-(2-prop-2-ynoxyethoxy)ethyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide?
N-[2-(2-prop-2-ynoxyethoxy)ethyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 0.98, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-prop-2-ynoxyethoxy)ethyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide is sourced from PubChem (CID 154803511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).