2,3-dimethyl-N-[1-(methylamino)-1-oxopropan-2-yl]pent-4-enamide

C11H20N2O2 — CID 59883192

IUPAC2,3-dimethyl-N-[1-(methylamino)-1-oxopropan-2-yl]pent-4-enamide
SMILESC=CC(C)C(C)C(=O)NC(C)C(=O)NC
InChIInChI=1S/C11H20N2O2/c1-6-7(2)8(3)10(14)13-9(4)11(15)12-5/h6-9H,1H2,2-5H3,(H,12,15)(H,13,14)
InChIKeyUOXJEHXNZYHBQW-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.70
Rot. Bonds5

About 2,3-dimethyl-N-[1-(methylamino)-1-oxopropan-2-yl]pent-4-enamide

2,3-dimethyl-N-[1-(methylamino)-1-oxopropan-2-yl]pent-4-enamide (PubChem CID 59883192) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2,3-dimethyl-N-[1-(methylamino)-1-oxopropan-2-yl]pent-4-enamide.

Molecular Properties

Compound Name2,3-dimethyl-N-[1-(methylamino)-1-oxopropan-2-yl]pent-4-enamide
PubChem CID59883192
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name2,3-dimethyl-N-[1-(methylamino)-1-oxopropan-2-yl]pent-4-enamide
SMILESC=CC(C)C(C)C(=O)NC(C)C(=O)NC
InChIInChI=1S/C11H20N2O2/c1-6-7(2)8(3)10(14)13-9(4)11(15)12-5/h6-9H,1H2,2-5H3,(H,12,15)(H,13,14)
InChIKeyUOXJEHXNZYHBQW-UHFFFAOYSA-N
XLogP0.70
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,3-dimethyl-N-[1-(methylamino)-1-oxopropan-2-yl]pent-4-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

(2S)-2-[(4S)-4-ethenyl-2-oxopyrrolidin-1-yl]butanamide
CID 9834213
2-(4-Ethenyl-2-oxopyrrolidin-1-yl)butanamide
CID 9855735
(2S)-2-[(4R)-4-ethenyl-2-oxopyrrolidin-1-yl]butanamide
CID 9899099
4-Pentenamide, 2-(dimethylamino)-3-methyl-
CID 3021270
(2S)-N,3-dimethyl-2-(prop-2-enoylamino)butanamide
CID 90734779
2-Acetamidopent-4-enamide
CID 23273486
(2S)-2-acetamido-N-[(E)-3-bromoprop-2-enyl]-3-methylbutanamide
CID 165618986
(2S,3R)-N-butyl-2,3-dimethylpent-4-enamide
CID 14465012
(2S,3S)-N-butyl-2,3-dimethylpent-4-enamide
CID 134905336
tert-butyl N-[(2R,3S)-1-(butylamino)-3-methyl-1-oxopent-4-en-2-yl]carbamate
CID 134920554
(2R,3S)-2-amino-N-butyl-3-methylpent-4-enamide
CID 134988377
N-[2-(methylamino)-2-oxoethyl]pent-4-enamide
CID 176433233

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-[1-(methylamino)-1-oxopropan-2-yl]pent-4-enamide?
The IUPAC name of 2,3-dimethyl-N-[1-(methylamino)-1-oxopropan-2-yl]pent-4-enamide (CID 59883192) is 2,3-dimethyl-N-[1-(methylamino)-1-oxopropan-2-yl]pent-4-enamide.
What is the SMILES notation for 2,3-dimethyl-N-[1-(methylamino)-1-oxopropan-2-yl]pent-4-enamide?
The canonical SMILES for 2,3-dimethyl-N-[1-(methylamino)-1-oxopropan-2-yl]pent-4-enamide is C=CC(C)C(C)C(=O)NC(C)C(=O)NC.
What is the InChIKey of 2,3-dimethyl-N-[1-(methylamino)-1-oxopropan-2-yl]pent-4-enamide?
The InChIKey is UOXJEHXNZYHBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-6-7(2)8(3)10(14)13-9(4)11(15)12-5/h6-9H,1H2,2-5H3,(H,12,15)(H,13,14).
What are the key properties of 2,3-dimethyl-N-[1-(methylamino)-1-oxopropan-2-yl]pent-4-enamide?
2,3-dimethyl-N-[1-(methylamino)-1-oxopropan-2-yl]pent-4-enamide has a molecular weight of 212.29 g/mol, XLogP of 0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-[1-(methylamino)-1-oxopropan-2-yl]pent-4-enamide is sourced from PubChem (CID 59883192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).