3-butyl-N-[2-[2-(2-ethenoxyethoxy)ethoxy]ethyl]cyclopent-3-ene-1-carboxamide;ethane;molecular hydrogen

C20H39NO4 — CID 154670608

IUPAC3-butyl-N-[2-[2-(2-ethenoxyethoxy)ethoxy]ethyl]cyclopent-3-ene-1-carboxamide;ethane;molecular hydrogen
SMILESC=COCCOCCOCCNC(=O)C1CC=C(CCCC)C1.CC.[H][H]
InChIInChI=1S/C18H31NO4.C2H6.H2/c1-3-5-6-16-7-8-17(15-16)18(20)19-9-10-22-13-14-23-12-11-21-4-2;1-2;/h4,7,17H,2-3,5-6,8-15H2,1H3,(H,19,20);1-2H3;1H
InChIKeyPGQZUVIUYNYZJD-UHFFFAOYSA-N
MW357.54 g/mol
LogP4.09
Rot. Bonds14

About 3-butyl-N-[2-[2-(2-ethenoxyethoxy)ethoxy]ethyl]cyclopent-3-ene-1-carboxamide;ethane;molecular hydrogen

3-butyl-N-[2-[2-(2-ethenoxyethoxy)ethoxy]ethyl]cyclopent-3-ene-1-carboxamide;ethane;molecular hydrogen (PubChem CID 154670608) has the molecular formula C20H39NO4 and a molecular weight of 357.54 g/mol. Its IUPAC name is 3-butyl-N-[2-[2-(2-ethenoxyethoxy)ethoxy]ethyl]cyclopent-3-ene-1-carboxamide;ethane;molecular hydrogen.

Molecular Properties

Compound Name3-butyl-N-[2-[2-(2-ethenoxyethoxy)ethoxy]ethyl]cyclopent-3-ene-1-carboxamide;ethane;molecular hydrogen
PubChem CID154670608
Molecular FormulaC20H39NO4
Molecular Weight357.54 g/mol
Exact Mass357.29
IUPAC Name3-butyl-N-[2-[2-(2-ethenoxyethoxy)ethoxy]ethyl]cyclopent-3-ene-1-carboxamide;ethane;molecular hydrogen
SMILESC=COCCOCCOCCNC(=O)C1CC=C(CCCC)C1.CC.[H][H]
InChIInChI=1S/C18H31NO4.C2H6.H2/c1-3-5-6-16-7-8-17(15-16)18(20)19-9-10-22-13-14-23-12-11-21-4-2;1-2;/h4,7,17H,2-3,5-6,8-15H2,1H3,(H,19,20);1-2H3;1H
InChIKeyPGQZUVIUYNYZJD-UHFFFAOYSA-N
XLogP4.09
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.54
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-N-[2-[2-(2-ethenoxyethoxy)ethoxy]ethyl]cyclopent-3-ene-1-carboxamide;ethane;molecular hydrogen?
The IUPAC name of 3-butyl-N-[2-[2-(2-ethenoxyethoxy)ethoxy]ethyl]cyclopent-3-ene-1-carboxamide;ethane;molecular hydrogen (CID 154670608) is 3-butyl-N-[2-[2-(2-ethenoxyethoxy)ethoxy]ethyl]cyclopent-3-ene-1-carboxamide;ethane;molecular hydrogen.
What is the SMILES notation for 3-butyl-N-[2-[2-(2-ethenoxyethoxy)ethoxy]ethyl]cyclopent-3-ene-1-carboxamide;ethane;molecular hydrogen?
The canonical SMILES for 3-butyl-N-[2-[2-(2-ethenoxyethoxy)ethoxy]ethyl]cyclopent-3-ene-1-carboxamide;ethane;molecular hydrogen is C=COCCOCCOCCNC(=O)C1CC=C(CCCC)C1.CC.[H][H].
What is the InChIKey of 3-butyl-N-[2-[2-(2-ethenoxyethoxy)ethoxy]ethyl]cyclopent-3-ene-1-carboxamide;ethane;molecular hydrogen?
The InChIKey is PGQZUVIUYNYZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO4.C2H6.H2/c1-3-5-6-16-7-8-17(15-16)18(20)19-9-10-22-13-14-23-12-11-21-4-2;1-2;/h4,7,17H,2-3,5-6,8-15H2,1H3,(H,19,20);1-2H3;1H.
What are the key properties of 3-butyl-N-[2-[2-(2-ethenoxyethoxy)ethoxy]ethyl]cyclopent-3-ene-1-carboxamide;ethane;molecular hydrogen?
3-butyl-N-[2-[2-(2-ethenoxyethoxy)ethoxy]ethyl]cyclopent-3-ene-1-carboxamide;ethane;molecular hydrogen has a molecular weight of 357.54 g/mol, XLogP of 4.09, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-N-[2-[2-(2-ethenoxyethoxy)ethoxy]ethyl]cyclopent-3-ene-1-carboxamide;ethane;molecular hydrogen is sourced from PubChem (CID 154670608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).