4-(diethylamino)but-2-enamide

C8H16N2O — CID 54303069

IUPAC4-(diethylamino)but-2-enamide
SMILESCCN(CC)CC=CC(N)=O
InChIInChI=1S/C8H16N2O/c1-3-10(4-2)7-5-6-8(9)11/h5-6H,3-4,7H2,1-2H3,(H2,9,11)
InChIKeySFPGNABUJLHMNQ-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.37
Rot. Bonds5

About 4-(diethylamino)but-2-enamide

4-(diethylamino)but-2-enamide (PubChem CID 54303069) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 4-(diethylamino)but-2-enamide.

Molecular Properties

Compound Name4-(diethylamino)but-2-enamide
PubChem CID54303069
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name4-(diethylamino)but-2-enamide
SMILESCCN(CC)CC=CC(N)=O
InChIInChI=1S/C8H16N2O/c1-3-10(4-2)7-5-6-8(9)11/h5-6H,3-4,7H2,1-2H3,(H2,9,11)
InChIKeySFPGNABUJLHMNQ-UHFFFAOYSA-N
XLogP0.37
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(diethylamino)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

Related Compounds

N,N-Dimethyl-N-(prop-2-en-1-yl)prop-2-en-1-aminium prop-2-enimidate--hydrogen chloride (1/1/1)
CID 168563
(E)-4-(dimethylamino)-N-methylbut-2-enamide
CID 20813441
2-Propenamide, polymer with N-methyl-N-2-propen-1-yl-2-propen-1-amine hydrochloride
CID 6455829
(E)-4-(Dimethylamino)but-2-enamide
CID 10582800
(2E)-4-amino-N,N-dimethylbut-2-enamide hydrochloride
CID 134163223
Acrylamide propyltrimethylammonium chloride
CID 21902661
Dimethyl-bis(prop-2-enyl)azanium;prop-2-enamide
CID 23514292
4-(Dimethylamino)but-2-enamide
CID 54514979
prop-2-enamide;N-prop-2-enylprop-2-en-1-amine
CID 87123896
2-Propen-1-aminium, N,N-diethyl-N-2-propen-1-yl-, chloride, polymer with N,N-dimethyl-N-2-propen-1-yl-2-propen-1-aminium chloride and 2-propenamide
CID 155288835
(E)-4-amino-N,N-dimethylbut-2-enamide
CID 130533155
(E)-4-[2-fluoroethyl(methyl)amino]but-2-enamide
CID 168983703

Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)but-2-enamide?
The IUPAC name of 4-(diethylamino)but-2-enamide (CID 54303069) is 4-(diethylamino)but-2-enamide.
What is the SMILES notation for 4-(diethylamino)but-2-enamide?
The canonical SMILES for 4-(diethylamino)but-2-enamide is CCN(CC)CC=CC(N)=O.
What is the InChIKey of 4-(diethylamino)but-2-enamide?
The InChIKey is SFPGNABUJLHMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-3-10(4-2)7-5-6-8(9)11/h5-6H,3-4,7H2,1-2H3,(H2,9,11).
What are the key properties of 4-(diethylamino)but-2-enamide?
4-(diethylamino)but-2-enamide has a molecular weight of 156.23 g/mol, XLogP of 0.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)but-2-enamide is sourced from PubChem (CID 54303069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).