(E)-2-deuterio-3-(dimethylamino)-N,N-dimethylprop-2-enamide

C7H14N2O — CID 23278673

IUPAC(E)-2-deuterio-3-(dimethylamino)-N,N-dimethylprop-2-enamide
SMILES[2H]/C(=C\N(C)C)C(=O)N(C)C
InChIInChI=1S/C7H14N2O/c1-8(2)6-5-7(10)9(3)4/h5-6H,1-4H3/b6-5+/i5D
InChIKeyGOPSGESEBDLWKA-GVQVBZPMSA-N
MW143.21 g/mol
LogP0.15
Rot. Bonds2

About (E)-2-deuterio-3-(dimethylamino)-N,N-dimethylprop-2-enamide

(E)-2-deuterio-3-(dimethylamino)-N,N-dimethylprop-2-enamide (PubChem CID 23278673) has the molecular formula C7H14N2O and a molecular weight of 143.21 g/mol. Its IUPAC name is (E)-2-deuterio-3-(dimethylamino)-N,N-dimethylprop-2-enamide.

Molecular Properties

Compound Name(E)-2-deuterio-3-(dimethylamino)-N,N-dimethylprop-2-enamide
PubChem CID23278673
Molecular FormulaC7H14N2O
Molecular Weight143.21 g/mol
Exact Mass143.12
IUPAC Name(E)-2-deuterio-3-(dimethylamino)-N,N-dimethylprop-2-enamide
SMILES[2H]/C(=C\N(C)C)C(=O)N(C)C
InChIInChI=1S/C7H14N2O/c1-8(2)6-5-7(10)9(3)4/h5-6H,1-4H3/b6-5+/i5D
InChIKeyGOPSGESEBDLWKA-GVQVBZPMSA-N
XLogP0.15
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.21
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-2-deuterio-3-(dimethylamino)-N,N-dimethylprop-2-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 (E)-2-deuterio-3-(dimethylamino)-N,N-dimethylprop-2-enamide?
The IUPAC name of (E)-2-deuterio-3-(dimethylamino)-N,N-dimethylprop-2-enamide (CID 23278673) is (E)-2-deuterio-3-(dimethylamino)-N,N-dimethylprop-2-enamide.
What is the SMILES notation for (E)-2-deuterio-3-(dimethylamino)-N,N-dimethylprop-2-enamide?
The canonical SMILES for (E)-2-deuterio-3-(dimethylamino)-N,N-dimethylprop-2-enamide is [2H]/C(=C\N(C)C)C(=O)N(C)C.
What is the InChIKey of (E)-2-deuterio-3-(dimethylamino)-N,N-dimethylprop-2-enamide?
The InChIKey is GOPSGESEBDLWKA-GVQVBZPMSA-N. The full InChI is InChI=1S/C7H14N2O/c1-8(2)6-5-7(10)9(3)4/h5-6H,1-4H3/b6-5+/i5D.
What are the key properties of (E)-2-deuterio-3-(dimethylamino)-N,N-dimethylprop-2-enamide?
(E)-2-deuterio-3-(dimethylamino)-N,N-dimethylprop-2-enamide has a molecular weight of 143.21 g/mol, XLogP of 0.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-deuterio-3-(dimethylamino)-N,N-dimethylprop-2-enamide is sourced from PubChem (CID 23278673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).