(2E,4Z)-N-(2,6-dioxopiperidin-3-yl)-2,3-dimethylhexa-2,4-dienamide;ethane;formaldehyde;propane

C19H34N2O4 — CID 170590516

IUPAC(2E,4Z)-N-(2,6-dioxopiperidin-3-yl)-2,3-dimethylhexa-2,4-dienamide;ethane;formaldehyde;propane
SMILESC/C=C\C(C)=C(/C)C(=O)NC1CCC(=O)NC1=O.C=O.CC.CCC
InChIInChI=1S/C13H18N2O3.C3H8.C2H6.CH2O/c1-4-5-8(2)9(3)12(17)14-10-6-7-11(16)15-13(10)18;1-3-2;2*1-2/h4-5,10H,6-7H2,1-3H3,(H,14,17)(H,15,16,18);3H2,1-2H3;1-2H3;1H2/b5-4-,9-8+;;;
InChIKeyWJPBWRYUPTWAOF-YTKMWIFWSA-N
MW354.49 g/mol
LogP3.08
Rot. Bonds3

About (2E,4Z)-N-(2,6-dioxopiperidin-3-yl)-2,3-dimethylhexa-2,4-dienamide;ethane;formaldehyde;propane

(2E,4Z)-N-(2,6-dioxopiperidin-3-yl)-2,3-dimethylhexa-2,4-dienamide;ethane;formaldehyde;propane (PubChem CID 170590516) has the molecular formula C19H34N2O4 and a molecular weight of 354.49 g/mol. Its IUPAC name is (2E,4Z)-N-(2,6-dioxopiperidin-3-yl)-2,3-dimethylhexa-2,4-dienamide;ethane;formaldehyde;propane.

Molecular Properties

Compound Name(2E,4Z)-N-(2,6-dioxopiperidin-3-yl)-2,3-dimethylhexa-2,4-dienamide;ethane;formaldehyde;propane
PubChem CID170590516
Molecular FormulaC19H34N2O4
Molecular Weight354.49 g/mol
Exact Mass354.25
IUPAC Name(2E,4Z)-N-(2,6-dioxopiperidin-3-yl)-2,3-dimethylhexa-2,4-dienamide;ethane;formaldehyde;propane
SMILESC/C=C\C(C)=C(/C)C(=O)NC1CCC(=O)NC1=O.C=O.CC.CCC
InChIInChI=1S/C13H18N2O3.C3H8.C2H6.CH2O/c1-4-5-8(2)9(3)12(17)14-10-6-7-11(16)15-13(10)18;1-3-2;2*1-2/h4-5,10H,6-7H2,1-3H3,(H,14,17)(H,15,16,18);3H2,1-2H3;1-2H3;1H2/b5-4-,9-8+;;;
InChIKeyWJPBWRYUPTWAOF-YTKMWIFWSA-N
XLogP3.08
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2E)-N-(2,6-dioxopiperidin-3-yl)-2-ethylidenepent-3-enamide;ethane;tungsten
CID 156866667
(Z,3Z)-N-(2,6-dioxopiperidin-3-yl)-3-ethylidenehept-4-enamide;ethane
CID 177240314
(2E,4Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethyl-5-methylhepta-2,4,6-trienamide;ethane
CID 176573991
(2Z,4Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethenyl-3-nitrosohexa-2,4-dienamide;methane
CID 172587311
(Z,3Z)-N-(2,6-dioxopiperidin-3-yl)-3-ethylidenehept-4-enamide
CID 177240315
(2E)-N-(2,6-dioxopiperidin-3-yl)-2-ethenylpenta-2,4-dienamide;ethane
CID 176695806
(Z,3Z)-N-(2,6-dioxopiperidin-3-yl)-3-ethylidene-5-methylhept-4-enamide;ethane
CID 177318636
(3Z,5E)-N-(2,6-dioxopiperidin-3-yl)-6-fluoro-2-methylidenehepta-3,5-dienamide;ethane;molecular hydrogen
CID 153385187
ethane;S-ethyl N-(2,6-dioxopiperidin-3-yl)carbamothioate
CID 166478743
N-(2,6-dioxopiperidin-3-yl)but-3-enamide
CID 65439330
N-(2,6-dioxopiperidin-3-yl)-3-[[(2E,4Z)-hexa-2,4-dien-3-yl]sulfonylamino]propanamide
CID 170009871
1,4-dimethylpiperazine;(2E,5Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethylidenehepta-3,5-dienamide;tungsten
CID 156866610

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-N-(2,6-dioxopiperidin-3-yl)-2,3-dimethylhexa-2,4-dienamide;ethane;formaldehyde;propane?
The IUPAC name of (2E,4Z)-N-(2,6-dioxopiperidin-3-yl)-2,3-dimethylhexa-2,4-dienamide;ethane;formaldehyde;propane (CID 170590516) is (2E,4Z)-N-(2,6-dioxopiperidin-3-yl)-2,3-dimethylhexa-2,4-dienamide;ethane;formaldehyde;propane.
What is the SMILES notation for (2E,4Z)-N-(2,6-dioxopiperidin-3-yl)-2,3-dimethylhexa-2,4-dienamide;ethane;formaldehyde;propane?
The canonical SMILES for (2E,4Z)-N-(2,6-dioxopiperidin-3-yl)-2,3-dimethylhexa-2,4-dienamide;ethane;formaldehyde;propane is C/C=C\C(C)=C(/C)C(=O)NC1CCC(=O)NC1=O.C=O.CC.CCC.
What is the InChIKey of (2E,4Z)-N-(2,6-dioxopiperidin-3-yl)-2,3-dimethylhexa-2,4-dienamide;ethane;formaldehyde;propane?
The InChIKey is WJPBWRYUPTWAOF-YTKMWIFWSA-N. The full InChI is InChI=1S/C13H18N2O3.C3H8.C2H6.CH2O/c1-4-5-8(2)9(3)12(17)14-10-6-7-11(16)15-13(10)18;1-3-2;2*1-2/h4-5,10H,6-7H2,1-3H3,(H,14,17)(H,15,16,18);3H2,1-2H3;1-2H3;1H2/b5-4-,9-8+;;;.
What are the key properties of (2E,4Z)-N-(2,6-dioxopiperidin-3-yl)-2,3-dimethylhexa-2,4-dienamide;ethane;formaldehyde;propane?
(2E,4Z)-N-(2,6-dioxopiperidin-3-yl)-2,3-dimethylhexa-2,4-dienamide;ethane;formaldehyde;propane has a molecular weight of 354.49 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-N-(2,6-dioxopiperidin-3-yl)-2,3-dimethylhexa-2,4-dienamide;ethane;formaldehyde;propane is sourced from PubChem (CID 170590516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).