(Z)-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]-2-(3-oxoprop-1-en-2-yl)but-2-enamide

C14H20N2O4 — CID 153393814

IUPAC(Z)-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]-2-(3-oxoprop-1-en-2-yl)but-2-enamide
SMILESC=C(C=O)/C(=C/C)C(=O)N(C)C(CCC=O)C(=O)NC
InChIInChI=1S/C14H20N2O4/c1-5-11(10(2)9-18)14(20)16(4)12(7-6-8-17)13(19)15-3/h5,8-9,12H,2,6-7H2,1,3-4H3,(H,15,19)/b11-5-
InChIKeyJHAVEIWUCNYMHH-WZUFQYTHSA-N
MW280.32 g/mol
LogP0.24
Rot. Bonds8

About (Z)-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]-2-(3-oxoprop-1-en-2-yl)but-2-enamide

(Z)-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]-2-(3-oxoprop-1-en-2-yl)but-2-enamide (PubChem CID 153393814) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is (Z)-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]-2-(3-oxoprop-1-en-2-yl)but-2-enamide.

Molecular Properties

Compound Name(Z)-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]-2-(3-oxoprop-1-en-2-yl)but-2-enamide
PubChem CID153393814
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name(Z)-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]-2-(3-oxoprop-1-en-2-yl)but-2-enamide
SMILESC=C(C=O)/C(=C/C)C(=O)N(C)C(CCC=O)C(=O)NC
InChIInChI=1S/C14H20N2O4/c1-5-11(10(2)9-18)14(20)16(4)12(7-6-8-17)13(19)15-3/h5,8-9,12H,2,6-7H2,1,3-4H3,(H,15,19)/b11-5-
InChIKeyJHAVEIWUCNYMHH-WZUFQYTHSA-N
XLogP0.24
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (Z)-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]-2-(3-oxoprop-1-en-2-yl)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

(2E)-N-(2,6-dioxopiperidin-3-yl)-2-(1-fluoroethenyl)-3-formyl-N,4-dimethylpenta-2,4-dienamide
CID 142305954
(2E,4E)-5-fluoro-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]-2-(2-oxoethyl)hepta-2,4-dienamide
CID 142368191
4-[(3Z,4E)-3-(1-fluoroethylidene)-2,5-dioxo-4-prop-2-enylidenepyrrolidin-1-yl]-N-methyl-5-oxopentanamide
CID 142615726
(2Z,3E)-N-(2,6-dioxopiperidin-3-yl)-2-(1-fluoroethylidene)-3-formyl-N-methylhexa-3,5-dienamide
CID 142616415
(2E,3Z)-2-ethylidene-5-fluoro-N-formyl-3-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]hexa-3,5-dienamide
CID 155357881
(5E,7Z,9E)-10-fluoro-8-formyl-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]-1,4-diazacyclododeca-5,7,9-triene-7-carboxamide
CID 164592611
(2E,3Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethylidene-5-fluoro-N-formyl-3-methylhexa-3,5-dienamide
CID 166940900
4-[(3Z)-3-(1-fluoroprop-2-enylidene)-4-methylidene-2,5-dioxopyrrolidin-1-yl]-N-methyl-5-oxopentanamide
CID 168902756
(3Z,5E)-N-(2,6-dioxopiperidin-3-yl)-6-fluoro-N-formyl-3-methyl-2-methylidenehepta-3,5-dienamide
CID 169834730
(2Z)-N-(2,6-dioxopiperidin-3-yl)-3-fluoro-N-methyl-2-[(E)-1-oxobut-2-en-2-yl]penta-2,4-dienamide
CID 171510961
2-[4-[(1E)-1-fluorobuta-1,3-dienyl]-3-methyl-5-oxo-2H-pyrrol-1-yl]-N-methyl-5-oxopentanamide
CID 176718028
4-formyl-N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]cyclopenta-1,3-diene-1-carboxamide
CID 59029560

Frequently Asked Questions

What is the IUPAC name of (Z)-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]-2-(3-oxoprop-1-en-2-yl)but-2-enamide?
The IUPAC name of (Z)-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]-2-(3-oxoprop-1-en-2-yl)but-2-enamide (CID 153393814) is (Z)-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]-2-(3-oxoprop-1-en-2-yl)but-2-enamide.
What is the SMILES notation for (Z)-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]-2-(3-oxoprop-1-en-2-yl)but-2-enamide?
The canonical SMILES for (Z)-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]-2-(3-oxoprop-1-en-2-yl)but-2-enamide is C=C(C=O)/C(=C/C)C(=O)N(C)C(CCC=O)C(=O)NC.
What is the InChIKey of (Z)-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]-2-(3-oxoprop-1-en-2-yl)but-2-enamide?
The InChIKey is JHAVEIWUCNYMHH-WZUFQYTHSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-5-11(10(2)9-18)14(20)16(4)12(7-6-8-17)13(19)15-3/h5,8-9,12H,2,6-7H2,1,3-4H3,(H,15,19)/b11-5-.
What are the key properties of (Z)-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]-2-(3-oxoprop-1-en-2-yl)but-2-enamide?
(Z)-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]-2-(3-oxoprop-1-en-2-yl)but-2-enamide has a molecular weight of 280.32 g/mol, XLogP of 0.24, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]-2-(3-oxoprop-1-en-2-yl)but-2-enamide is sourced from PubChem (CID 153393814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).