N-(2-aminoethyl)-2-[(2Z)-3-methylcyclooct-2-en-1-yl]oxyacetamide

C13H24N2O2 — CID 154992924

IUPACN-(2-aminoethyl)-2-[(2Z)-3-methylcyclooct-2-en-1-yl]oxyacetamide
SMILESC/C1=C/C(OCC(=O)NCCN)CCCCC1
InChIInChI=1S/C13H24N2O2/c1-11-5-3-2-4-6-12(9-11)17-10-13(16)15-8-7-14/h9,12H,2-8,10,14H2,1H3,(H,15,16)/b11-9-
InChIKeyDUTASSPWIDGWRW-LUAWRHEFSA-N
MW240.35 g/mol
LogP1.36
Rot. Bonds5

About N-(2-aminoethyl)-2-[(2Z)-3-methylcyclooct-2-en-1-yl]oxyacetamide

N-(2-aminoethyl)-2-[(2Z)-3-methylcyclooct-2-en-1-yl]oxyacetamide (PubChem CID 154992924) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-[(2Z)-3-methylcyclooct-2-en-1-yl]oxyacetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-[(2Z)-3-methylcyclooct-2-en-1-yl]oxyacetamide
PubChem CID154992924
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC NameN-(2-aminoethyl)-2-[(2Z)-3-methylcyclooct-2-en-1-yl]oxyacetamide
SMILESC/C1=C/C(OCC(=O)NCCN)CCCCC1
InChIInChI=1S/C13H24N2O2/c1-11-5-3-2-4-6-12(9-11)17-10-13(16)15-8-7-14/h9,12H,2-8,10,14H2,1H3,(H,15,16)/b11-9-
InChIKeyDUTASSPWIDGWRW-LUAWRHEFSA-N
XLogP1.36
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-[(2Z)-3-methylcyclooct-2-en-1-yl]oxyacetamide?
The IUPAC name of N-(2-aminoethyl)-2-[(2Z)-3-methylcyclooct-2-en-1-yl]oxyacetamide (CID 154992924) is N-(2-aminoethyl)-2-[(2Z)-3-methylcyclooct-2-en-1-yl]oxyacetamide.
What is the SMILES notation for N-(2-aminoethyl)-2-[(2Z)-3-methylcyclooct-2-en-1-yl]oxyacetamide?
The canonical SMILES for N-(2-aminoethyl)-2-[(2Z)-3-methylcyclooct-2-en-1-yl]oxyacetamide is C/C1=C/C(OCC(=O)NCCN)CCCCC1.
What is the InChIKey of N-(2-aminoethyl)-2-[(2Z)-3-methylcyclooct-2-en-1-yl]oxyacetamide?
The InChIKey is DUTASSPWIDGWRW-LUAWRHEFSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-11-5-3-2-4-6-12(9-11)17-10-13(16)15-8-7-14/h9,12H,2-8,10,14H2,1H3,(H,15,16)/b11-9-.
What are the key properties of N-(2-aminoethyl)-2-[(2Z)-3-methylcyclooct-2-en-1-yl]oxyacetamide?
N-(2-aminoethyl)-2-[(2Z)-3-methylcyclooct-2-en-1-yl]oxyacetamide has a molecular weight of 240.35 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-[(2Z)-3-methylcyclooct-2-en-1-yl]oxyacetamide is sourced from PubChem (CID 154992924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).