N-[3-(4-aminocyclohexyl)oxypropyl]-2-cyclopent-2-en-1-ylacetamide

C16H28N2O2 — CID 63869471

IUPACN-[3-(4-aminocyclohexyl)oxypropyl]-2-cyclopent-2-en-1-ylacetamide
SMILESNC1CCC(OCCCNC(=O)CC2C=CCC2)CC1
InChIInChI=1S/C16H28N2O2/c17-14-6-8-15(9-7-14)20-11-3-10-18-16(19)12-13-4-1-2-5-13/h1,4,13-15H,2-3,5-12,17H2,(H,18,19)
InChIKeyDIRPXNOSOKSEOT-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.14
Rot. Bonds7

About N-[3-(4-aminocyclohexyl)oxypropyl]-2-cyclopent-2-en-1-ylacetamide

N-[3-(4-aminocyclohexyl)oxypropyl]-2-cyclopent-2-en-1-ylacetamide (PubChem CID 63869471) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is N-[3-(4-aminocyclohexyl)oxypropyl]-2-cyclopent-2-en-1-ylacetamide.

Molecular Properties

Compound NameN-[3-(4-aminocyclohexyl)oxypropyl]-2-cyclopent-2-en-1-ylacetamide
PubChem CID63869471
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC NameN-[3-(4-aminocyclohexyl)oxypropyl]-2-cyclopent-2-en-1-ylacetamide
SMILESNC1CCC(OCCCNC(=O)CC2C=CCC2)CC1
InChIInChI=1S/C16H28N2O2/c17-14-6-8-15(9-7-14)20-11-3-10-18-16(19)12-13-4-1-2-5-13/h1,4,13-15H,2-3,5-12,17H2,(H,18,19)
InChIKeyDIRPXNOSOKSEOT-UHFFFAOYSA-N
XLogP2.14
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 N-[3-(4-aminocyclohexyl)oxypropyl]-2-cyclopent-2-en-1-ylacetamide?
The IUPAC name of N-[3-(4-aminocyclohexyl)oxypropyl]-2-cyclopent-2-en-1-ylacetamide (CID 63869471) is N-[3-(4-aminocyclohexyl)oxypropyl]-2-cyclopent-2-en-1-ylacetamide.
What is the SMILES notation for N-[3-(4-aminocyclohexyl)oxypropyl]-2-cyclopent-2-en-1-ylacetamide?
The canonical SMILES for N-[3-(4-aminocyclohexyl)oxypropyl]-2-cyclopent-2-en-1-ylacetamide is NC1CCC(OCCCNC(=O)CC2C=CCC2)CC1.
What is the InChIKey of N-[3-(4-aminocyclohexyl)oxypropyl]-2-cyclopent-2-en-1-ylacetamide?
The InChIKey is DIRPXNOSOKSEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c17-14-6-8-15(9-7-14)20-11-3-10-18-16(19)12-13-4-1-2-5-13/h1,4,13-15H,2-3,5-12,17H2,(H,18,19).
What are the key properties of N-[3-(4-aminocyclohexyl)oxypropyl]-2-cyclopent-2-en-1-ylacetamide?
N-[3-(4-aminocyclohexyl)oxypropyl]-2-cyclopent-2-en-1-ylacetamide has a molecular weight of 280.41 g/mol, XLogP of 2.14, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-aminocyclohexyl)oxypropyl]-2-cyclopent-2-en-1-ylacetamide is sourced from PubChem (CID 63869471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).