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

C8H16N2O2 — CID 172614210

IUPAC2-(dimethylamino)-N-(2-hydroxyethyl)but-2-enamide
SMILESCC=C(C(=O)NCCO)N(C)C
InChIInChI=1S/C8H16N2O2/c1-4-7(10(2)3)8(12)9-5-6-11/h4,11H,5-6H2,1-3H3,(H,9,12)
InChIKeyATGXRNWCYMVPOS-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.44
Rot. Bonds4

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

2-(dimethylamino)-N-(2-hydroxyethyl)but-2-enamide (PubChem CID 172614210) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 2-(dimethylamino)-N-(2-hydroxyethyl)but-2-enamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-(2-hydroxyethyl)but-2-enamide
PubChem CID172614210
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name2-(dimethylamino)-N-(2-hydroxyethyl)but-2-enamide
SMILESCC=C(C(=O)NCCO)N(C)C
InChIInChI=1S/C8H16N2O2/c1-4-7(10(2)3)8(12)9-5-6-11/h4,11H,5-6H2,1-3H3,(H,9,12)
InChIKeyATGXRNWCYMVPOS-UHFFFAOYSA-N
XLogP-0.44
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(dimethylamino)-N-(2-hydroxyethyl)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-hydroxyethyl)but-2-enamide?
The IUPAC name of 2-(dimethylamino)-N-(2-hydroxyethyl)but-2-enamide (CID 172614210) is 2-(dimethylamino)-N-(2-hydroxyethyl)but-2-enamide.
What is the SMILES notation for 2-(dimethylamino)-N-(2-hydroxyethyl)but-2-enamide?
The canonical SMILES for 2-(dimethylamino)-N-(2-hydroxyethyl)but-2-enamide is CC=C(C(=O)NCCO)N(C)C.
What is the InChIKey of 2-(dimethylamino)-N-(2-hydroxyethyl)but-2-enamide?
The InChIKey is ATGXRNWCYMVPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-4-7(10(2)3)8(12)9-5-6-11/h4,11H,5-6H2,1-3H3,(H,9,12).
What are the key properties of 2-(dimethylamino)-N-(2-hydroxyethyl)but-2-enamide?
2-(dimethylamino)-N-(2-hydroxyethyl)but-2-enamide has a molecular weight of 172.23 g/mol, XLogP of -0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-(2-hydroxyethyl)but-2-enamide is sourced from PubChem (CID 172614210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).