(1S,2R,4S)-N-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide

C27H45NO9 — CID 164907342

IUPAC(1S,2R,4S)-N-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESC#CCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)[C@@H]1C[C@H]2C=C[C@@H]1C2
InChIInChI=1S/C27H45NO9/c1-2-6-30-8-10-32-12-14-34-16-18-36-20-21-37-19-17-35-15-13-33-11-9-31-7-5-28-27(29)26-23-24-3-4-25(26)22-24/h1,3-4,24-26H,5-23H2,(H,28,29)/t24-,25+,26+/m0/s1
InChIKeyXIIZRVQUNZKWLK-JIMJEQGWSA-N
MW527.66 g/mol
LogP1.08
Rot. Bonds26

About (1S,2R,4S)-N-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide

(1S,2R,4S)-N-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide (PubChem CID 164907342) has the molecular formula C27H45NO9 and a molecular weight of 527.66 g/mol. Its IUPAC name is (1S,2R,4S)-N-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide.

Molecular Properties

Compound Name(1S,2R,4S)-N-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
PubChem CID164907342
Molecular FormulaC27H45NO9
Molecular Weight527.66 g/mol
Exact Mass527.31
IUPAC Name(1S,2R,4S)-N-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESC#CCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)[C@@H]1C[C@H]2C=C[C@@H]1C2
InChIInChI=1S/C27H45NO9/c1-2-6-30-8-10-32-12-14-34-16-18-36-20-21-37-19-17-35-15-13-33-11-9-31-7-5-28-27(29)26-23-24-3-4-25(26)22-24/h1,3-4,24-26H,5-23H2,(H,28,29)/t24-,25+,26+/m0/s1
InChIKeyXIIZRVQUNZKWLK-JIMJEQGWSA-N
XLogP1.08
TPSA102.94 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds26
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.66
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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 (1S,2R,4S)-N-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]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 (1S,2R,4S)-N-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The IUPAC name of (1S,2R,4S)-N-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide (CID 164907342) is (1S,2R,4S)-N-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide.
What is the SMILES notation for (1S,2R,4S)-N-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The canonical SMILES for (1S,2R,4S)-N-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide is C#CCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)[C@@H]1C[C@H]2C=C[C@@H]1C2.
What is the InChIKey of (1S,2R,4S)-N-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The InChIKey is XIIZRVQUNZKWLK-JIMJEQGWSA-N. The full InChI is InChI=1S/C27H45NO9/c1-2-6-30-8-10-32-12-14-34-16-18-36-20-21-37-19-17-35-15-13-33-11-9-31-7-5-28-27(29)26-23-24-3-4-25(26)22-24/h1,3-4,24-26H,5-23H2,(H,28,29)/t24-,25+,26+/m0/s1.
What are the key properties of (1S,2R,4S)-N-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide?
(1S,2R,4S)-N-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide has a molecular weight of 527.66 g/mol, XLogP of 1.08, 26 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,4S)-N-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide is sourced from PubChem (CID 164907342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).