(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'}

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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).