2-(oct-1-en-2-ylamino)-N-(2-oxopropyl)acetamide

C13H24N2O2 — CID 174359714

IUPAC2-(oct-1-en-2-ylamino)-N-(2-oxopropyl)acetamide
SMILESC=C(CCCCCC)NCC(=O)NCC(C)=O
InChIInChI=1S/C13H24N2O2/c1-4-5-6-7-8-11(2)14-10-13(17)15-9-12(3)16/h14H,2,4-10H2,1,3H3,(H,15,17)
InChIKeyISHMIIHSYKXTRF-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.77
Rot. Bonds10

About 2-(oct-1-en-2-ylamino)-N-(2-oxopropyl)acetamide

2-(oct-1-en-2-ylamino)-N-(2-oxopropyl)acetamide (PubChem CID 174359714) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-(oct-1-en-2-ylamino)-N-(2-oxopropyl)acetamide.

Molecular Properties

Compound Name2-(oct-1-en-2-ylamino)-N-(2-oxopropyl)acetamide
PubChem CID174359714
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name2-(oct-1-en-2-ylamino)-N-(2-oxopropyl)acetamide
SMILESC=C(CCCCCC)NCC(=O)NCC(C)=O
InChIInChI=1S/C13H24N2O2/c1-4-5-6-7-8-11(2)14-10-13(17)15-9-12(3)16/h14H,2,4-10H2,1,3H3,(H,15,17)
InChIKeyISHMIIHSYKXTRF-UHFFFAOYSA-N
XLogP1.77
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(oct-1-en-2-ylamino)-N-(2-oxopropyl)acetamide 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 2-(oct-1-en-2-ylamino)-N-(2-oxopropyl)acetamide?
The IUPAC name of 2-(oct-1-en-2-ylamino)-N-(2-oxopropyl)acetamide (CID 174359714) is 2-(oct-1-en-2-ylamino)-N-(2-oxopropyl)acetamide.
What is the SMILES notation for 2-(oct-1-en-2-ylamino)-N-(2-oxopropyl)acetamide?
The canonical SMILES for 2-(oct-1-en-2-ylamino)-N-(2-oxopropyl)acetamide is C=C(CCCCCC)NCC(=O)NCC(C)=O.
What is the InChIKey of 2-(oct-1-en-2-ylamino)-N-(2-oxopropyl)acetamide?
The InChIKey is ISHMIIHSYKXTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-4-5-6-7-8-11(2)14-10-13(17)15-9-12(3)16/h14H,2,4-10H2,1,3H3,(H,15,17).
What are the key properties of 2-(oct-1-en-2-ylamino)-N-(2-oxopropyl)acetamide?
2-(oct-1-en-2-ylamino)-N-(2-oxopropyl)acetamide has a molecular weight of 240.35 g/mol, XLogP of 1.77, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oct-1-en-2-ylamino)-N-(2-oxopropyl)acetamide is sourced from PubChem (CID 174359714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).