2-[azetidin-3-yl(ethyl)amino]-N-prop-2-ynylpropanamide

C11H19N3O — CID 66181972

IUPAC2-[azetidin-3-yl(ethyl)amino]-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)N(CC)C1CNC1
InChIInChI=1S/C11H19N3O/c1-4-6-13-11(15)9(3)14(5-2)10-7-12-8-10/h1,9-10,12H,5-8H2,2-3H3,(H,13,15)
InChIKeyGYKGVEQFSBWCQR-UHFFFAOYSA-N
MW209.29 g/mol
LogP-0.58
Rot. Bonds5

About 2-[azetidin-3-yl(ethyl)amino]-N-prop-2-ynylpropanamide

2-[azetidin-3-yl(ethyl)amino]-N-prop-2-ynylpropanamide (PubChem CID 66181972) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-[azetidin-3-yl(ethyl)amino]-N-prop-2-ynylpropanamide.

Molecular Properties

Compound Name2-[azetidin-3-yl(ethyl)amino]-N-prop-2-ynylpropanamide
PubChem CID66181972
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2-[azetidin-3-yl(ethyl)amino]-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)N(CC)C1CNC1
InChIInChI=1S/C11H19N3O/c1-4-6-13-11(15)9(3)14(5-2)10-7-12-8-10/h1,9-10,12H,5-8H2,2-3H3,(H,13,15)
InChIKeyGYKGVEQFSBWCQR-UHFFFAOYSA-N
XLogP-0.58
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[azetidin-3-yl(ethyl)amino]-N-prop-2-ynylpropanamide 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-[azetidin-3-yl(ethyl)amino]-N-prop-2-ynylpropanamide?
The IUPAC name of 2-[azetidin-3-yl(ethyl)amino]-N-prop-2-ynylpropanamide (CID 66181972) is 2-[azetidin-3-yl(ethyl)amino]-N-prop-2-ynylpropanamide.
What is the SMILES notation for 2-[azetidin-3-yl(ethyl)amino]-N-prop-2-ynylpropanamide?
The canonical SMILES for 2-[azetidin-3-yl(ethyl)amino]-N-prop-2-ynylpropanamide is C#CCNC(=O)C(C)N(CC)C1CNC1.
What is the InChIKey of 2-[azetidin-3-yl(ethyl)amino]-N-prop-2-ynylpropanamide?
The InChIKey is GYKGVEQFSBWCQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-4-6-13-11(15)9(3)14(5-2)10-7-12-8-10/h1,9-10,12H,5-8H2,2-3H3,(H,13,15).
What are the key properties of 2-[azetidin-3-yl(ethyl)amino]-N-prop-2-ynylpropanamide?
2-[azetidin-3-yl(ethyl)amino]-N-prop-2-ynylpropanamide has a molecular weight of 209.29 g/mol, XLogP of -0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[azetidin-3-yl(ethyl)amino]-N-prop-2-ynylpropanamide is sourced from PubChem (CID 66181972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).