(2R)-N-[2-(dimethylamino)ethyl]-2-(propan-2-ylamino)but-3-enamide

C11H23N3O — CID 89291352

IUPAC(2R)-N-[2-(dimethylamino)ethyl]-2-(propan-2-ylamino)but-3-enamide
SMILESC=C[C@@H](NC(C)C)C(=O)NCCN(C)C
InChIInChI=1S/C11H23N3O/c1-6-10(13-9(2)3)11(15)12-7-8-14(4)5/h6,9-10,13H,1,7-8H2,2-5H3,(H,12,15)/t10-/m1/s1
InChIKeyHIJLHCGPUOLXBJ-SNVBAGLBSA-N
MW213.32 g/mol
LogP0.22
Rot. Bonds7

About (2R)-N-[2-(dimethylamino)ethyl]-2-(propan-2-ylamino)but-3-enamide

(2R)-N-[2-(dimethylamino)ethyl]-2-(propan-2-ylamino)but-3-enamide (PubChem CID 89291352) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is (2R)-N-[2-(dimethylamino)ethyl]-2-(propan-2-ylamino)but-3-enamide.

Molecular Properties

Compound Name(2R)-N-[2-(dimethylamino)ethyl]-2-(propan-2-ylamino)but-3-enamide
PubChem CID89291352
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name(2R)-N-[2-(dimethylamino)ethyl]-2-(propan-2-ylamino)but-3-enamide
SMILESC=C[C@@H](NC(C)C)C(=O)NCCN(C)C
InChIInChI=1S/C11H23N3O/c1-6-10(13-9(2)3)11(15)12-7-8-14(4)5/h6,9-10,13H,1,7-8H2,2-5H3,(H,12,15)/t10-/m1/s1
InChIKeyHIJLHCGPUOLXBJ-SNVBAGLBSA-N
XLogP0.22
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2R)-N-[2-(dimethylamino)ethyl]-2-(propan-2-ylamino)but-3-enamide 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 (2R)-N-[2-(dimethylamino)ethyl]-2-(propan-2-ylamino)but-3-enamide?
The IUPAC name of (2R)-N-[2-(dimethylamino)ethyl]-2-(propan-2-ylamino)but-3-enamide (CID 89291352) is (2R)-N-[2-(dimethylamino)ethyl]-2-(propan-2-ylamino)but-3-enamide.
What is the SMILES notation for (2R)-N-[2-(dimethylamino)ethyl]-2-(propan-2-ylamino)but-3-enamide?
The canonical SMILES for (2R)-N-[2-(dimethylamino)ethyl]-2-(propan-2-ylamino)but-3-enamide is C=C[C@@H](NC(C)C)C(=O)NCCN(C)C.
What is the InChIKey of (2R)-N-[2-(dimethylamino)ethyl]-2-(propan-2-ylamino)but-3-enamide?
The InChIKey is HIJLHCGPUOLXBJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H23N3O/c1-6-10(13-9(2)3)11(15)12-7-8-14(4)5/h6,9-10,13H,1,7-8H2,2-5H3,(H,12,15)/t10-/m1/s1.
What are the key properties of (2R)-N-[2-(dimethylamino)ethyl]-2-(propan-2-ylamino)but-3-enamide?
(2R)-N-[2-(dimethylamino)ethyl]-2-(propan-2-ylamino)but-3-enamide has a molecular weight of 213.32 g/mol, XLogP of 0.22, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(dimethylamino)ethyl]-2-(propan-2-ylamino)but-3-enamide is sourced from PubChem (CID 89291352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).