2-(dimethylamino)-N-(2-methoxyethyl)but-2-enamide

C9H18N2O2 — CID 172614114

IUPAC2-(dimethylamino)-N-(2-methoxyethyl)but-2-enamide
SMILESCC=C(C(=O)NCCOC)N(C)C
InChIInChI=1S/C9H18N2O2/c1-5-8(11(2)3)9(12)10-6-7-13-4/h5H,6-7H2,1-4H3,(H,10,12)
InChIKeyLYQUVJZMLNSOSB-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.21
Rot. Bonds5

About 2-(dimethylamino)-N-(2-methoxyethyl)but-2-enamide

2-(dimethylamino)-N-(2-methoxyethyl)but-2-enamide (PubChem CID 172614114) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-(dimethylamino)-N-(2-methoxyethyl)but-2-enamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-(2-methoxyethyl)but-2-enamide
PubChem CID172614114
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name2-(dimethylamino)-N-(2-methoxyethyl)but-2-enamide
SMILESCC=C(C(=O)NCCOC)N(C)C
InChIInChI=1S/C9H18N2O2/c1-5-8(11(2)3)9(12)10-6-7-13-4/h5H,6-7H2,1-4H3,(H,10,12)
InChIKeyLYQUVJZMLNSOSB-UHFFFAOYSA-N
XLogP0.21
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(dimethylamino)-N-(2-methoxyethyl)but-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 2-(dimethylamino)-N-(2-methoxyethyl)but-2-enamide?
The IUPAC name of 2-(dimethylamino)-N-(2-methoxyethyl)but-2-enamide (CID 172614114) is 2-(dimethylamino)-N-(2-methoxyethyl)but-2-enamide.
What is the SMILES notation for 2-(dimethylamino)-N-(2-methoxyethyl)but-2-enamide?
The canonical SMILES for 2-(dimethylamino)-N-(2-methoxyethyl)but-2-enamide is CC=C(C(=O)NCCOC)N(C)C.
What is the InChIKey of 2-(dimethylamino)-N-(2-methoxyethyl)but-2-enamide?
The InChIKey is LYQUVJZMLNSOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-5-8(11(2)3)9(12)10-6-7-13-4/h5H,6-7H2,1-4H3,(H,10,12).
What are the key properties of 2-(dimethylamino)-N-(2-methoxyethyl)but-2-enamide?
2-(dimethylamino)-N-(2-methoxyethyl)but-2-enamide has a molecular weight of 186.25 g/mol, XLogP of 0.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-(2-methoxyethyl)but-2-enamide is sourced from PubChem (CID 172614114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).