(2E,4Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethyl-5-methylhepta-2,4,6-trienamide;ethane

C19H32N2O3 — CID 176573991

IUPAC(2E,4Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethyl-5-methylhepta-2,4,6-trienamide;ethane
SMILESC=C/C(C)=C\C=C(/CC)C(=O)NC1CCC(=O)NC1=O.CC.CC
InChIInChI=1S/C15H20N2O3.2C2H6/c1-4-10(3)6-7-11(5-2)14(19)16-12-8-9-13(18)17-15(12)20;2*1-2/h4,6-7,12H,1,5,8-9H2,2-3H3,(H,16,19)(H,17,18,20);2*1-2H3/b10-6-,11-7+;;
InChIKeyMCEYIFCQFXRZSG-ZKEATHAOSA-N
MW336.48 g/mol
LogP3.43
Rot. Bonds5

About (2E,4Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethyl-5-methylhepta-2,4,6-trienamide;ethane

(2E,4Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethyl-5-methylhepta-2,4,6-trienamide;ethane (PubChem CID 176573991) has the molecular formula C19H32N2O3 and a molecular weight of 336.48 g/mol. Its IUPAC name is (2E,4Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethyl-5-methylhepta-2,4,6-trienamide;ethane.

Molecular Properties

Compound Name(2E,4Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethyl-5-methylhepta-2,4,6-trienamide;ethane
PubChem CID176573991
Molecular FormulaC19H32N2O3
Molecular Weight336.48 g/mol
Exact Mass336.24
IUPAC Name(2E,4Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethyl-5-methylhepta-2,4,6-trienamide;ethane
SMILESC=C/C(C)=C\C=C(/CC)C(=O)NC1CCC(=O)NC1=O.CC.CC
InChIInChI=1S/C15H20N2O3.2C2H6/c1-4-10(3)6-7-11(5-2)14(19)16-12-8-9-13(18)17-15(12)20;2*1-2/h4,6-7,12H,1,5,8-9H2,2-3H3,(H,16,19)(H,17,18,20);2*1-2H3/b10-6-,11-7+;;
InChIKeyMCEYIFCQFXRZSG-ZKEATHAOSA-N
XLogP3.43
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-ethenylpenta-2,4-dienamide;ethane
CID 176695806
(2E,4Z)-N-(2,6-dioxopiperidin-3-yl)-2,3-dimethylhexa-2,4-dienamide;ethane;formaldehyde;propane
CID 170590516
3-[[(3E)-5-ethyl-6-methylhepta-1,3,5-trien-4-yl]amino]piperidine-2,6-dione
CID 155207749
N-(2,6-dioxopiperidin-3-yl)but-3-enamide
CID 65439330
(Z,3Z)-N-(2,6-dioxopiperidin-3-yl)-3-ethylidene-5-methylhept-4-enamide;ethane
CID 177318636
(2Z,4Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethenyl-3-nitrosohexa-2,4-dienamide;methane
CID 172587311
(3Z,5E)-N-(2,6-dioxopiperidin-3-yl)-6-fluoro-2-methylidenehepta-3,5-dienamide;ethane;molecular hydrogen
CID 153385187
3-[(3E,5Z)-6-methylocta-1,3,5,7-tetraen-3-yl]piperidine-2,6-dione
CID 171565227
ethane;S-ethyl N-(2,6-dioxopiperidin-3-yl)carbamothioate
CID 166478743
N-(2,6-dioxopiperidin-3-yl)-2-(prop-2-enylamino)acetamide
CID 79280076
(2E)-N-(2,6-dioxopiperidin-3-yl)-2-ethylidenepent-3-enamide;ethane;tungsten
CID 156866667
3-[[(2E,4E)-5,6-dimethylnona-2,4-dien-2-yl]amino]piperidine-2,6-dione;ethane
CID 177198123

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethyl-5-methylhepta-2,4,6-trienamide;ethane?
The IUPAC name of (2E,4Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethyl-5-methylhepta-2,4,6-trienamide;ethane (CID 176573991) is (2E,4Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethyl-5-methylhepta-2,4,6-trienamide;ethane.
What is the SMILES notation for (2E,4Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethyl-5-methylhepta-2,4,6-trienamide;ethane?
The canonical SMILES for (2E,4Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethyl-5-methylhepta-2,4,6-trienamide;ethane is C=C/C(C)=C\C=C(/CC)C(=O)NC1CCC(=O)NC1=O.CC.CC.
What is the InChIKey of (2E,4Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethyl-5-methylhepta-2,4,6-trienamide;ethane?
The InChIKey is MCEYIFCQFXRZSG-ZKEATHAOSA-N. The full InChI is InChI=1S/C15H20N2O3.2C2H6/c1-4-10(3)6-7-11(5-2)14(19)16-12-8-9-13(18)17-15(12)20;2*1-2/h4,6-7,12H,1,5,8-9H2,2-3H3,(H,16,19)(H,17,18,20);2*1-2H3/b10-6-,11-7+;;.
What are the key properties of (2E,4Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethyl-5-methylhepta-2,4,6-trienamide;ethane?
(2E,4Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethyl-5-methylhepta-2,4,6-trienamide;ethane has a molecular weight of 336.48 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethyl-5-methylhepta-2,4,6-trienamide;ethane is sourced from PubChem (CID 176573991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).