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

C18H31NO4 — CID 154670609

IUPAC3-butyl-N-[2-[2-(2-ethenoxyethoxy)ethoxy]ethyl]cyclopent-3-ene-1-carboxamide
SMILESC=COCCOCCOCCNC(=O)C1CC=C(CCCC)C1
InChIInChI=1S/C18H31NO4/c1-3-5-6-16-7-8-17(15-16)18(20)19-9-10-22-13-14-23-12-11-21-4-2/h4,7,17H,2-3,5-6,8-15H2,1H3,(H,19,20)
InChIKeyMRTHHYMBQYJKPD-UHFFFAOYSA-N
MW325.45 g/mol
LogP2.82
Rot. Bonds14

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

3-butyl-N-[2-[2-(2-ethenoxyethoxy)ethoxy]ethyl]cyclopent-3-ene-1-carboxamide (PubChem CID 154670609) has the molecular formula C18H31NO4 and a molecular weight of 325.45 g/mol. Its IUPAC name is 3-butyl-N-[2-[2-(2-ethenoxyethoxy)ethoxy]ethyl]cyclopent-3-ene-1-carboxamide.

Molecular Properties

Compound Name3-butyl-N-[2-[2-(2-ethenoxyethoxy)ethoxy]ethyl]cyclopent-3-ene-1-carboxamide
PubChem CID154670609
Molecular FormulaC18H31NO4
Molecular Weight325.45 g/mol
Exact Mass325.23
IUPAC Name3-butyl-N-[2-[2-(2-ethenoxyethoxy)ethoxy]ethyl]cyclopent-3-ene-1-carboxamide
SMILESC=COCCOCCOCCNC(=O)C1CC=C(CCCC)C1
InChIInChI=1S/C18H31NO4/c1-3-5-6-16-7-8-17(15-16)18(20)19-9-10-22-13-14-23-12-11-21-4-2/h4,7,17H,2-3,5-6,8-15H2,1H3,(H,19,20)
InChIKeyMRTHHYMBQYJKPD-UHFFFAOYSA-N
XLogP2.82
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 52.82
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?
The IUPAC name of 3-butyl-N-[2-[2-(2-ethenoxyethoxy)ethoxy]ethyl]cyclopent-3-ene-1-carboxamide (CID 154670609) is 3-butyl-N-[2-[2-(2-ethenoxyethoxy)ethoxy]ethyl]cyclopent-3-ene-1-carboxamide.
What is the SMILES notation for 3-butyl-N-[2-[2-(2-ethenoxyethoxy)ethoxy]ethyl]cyclopent-3-ene-1-carboxamide?
The canonical SMILES for 3-butyl-N-[2-[2-(2-ethenoxyethoxy)ethoxy]ethyl]cyclopent-3-ene-1-carboxamide is C=COCCOCCOCCNC(=O)C1CC=C(CCCC)C1.
What is the InChIKey of 3-butyl-N-[2-[2-(2-ethenoxyethoxy)ethoxy]ethyl]cyclopent-3-ene-1-carboxamide?
The InChIKey is MRTHHYMBQYJKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO4/c1-3-5-6-16-7-8-17(15-16)18(20)19-9-10-22-13-14-23-12-11-21-4-2/h4,7,17H,2-3,5-6,8-15H2,1H3,(H,19,20).
What are the key properties of 3-butyl-N-[2-[2-(2-ethenoxyethoxy)ethoxy]ethyl]cyclopent-3-ene-1-carboxamide?
3-butyl-N-[2-[2-(2-ethenoxyethoxy)ethoxy]ethyl]cyclopent-3-ene-1-carboxamide has a molecular weight of 325.45 g/mol, XLogP of 2.82, 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 is sourced from PubChem (CID 154670609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).