(2E,3Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethylidene-N-formyl-3-methylhexa-3,5-dienamide;N-methylpropanamide

C19H27N3O5 — CID 168945737

IUPAC(2E,3Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethylidene-N-formyl-3-methylhexa-3,5-dienamide;N-methylpropanamide
SMILESC=C/C=C(C)\C(=C/C)C(=O)N(C=O)C1CCC(=O)NC1=O.CCC(=O)NC
InChIInChI=1S/C15H18N2O4.C4H9NO/c1-4-6-10(3)11(5-2)15(21)17(9-18)12-7-8-13(19)16-14(12)20;1-3-4(6)5-2/h4-6,9,12H,1,7-8H2,2-3H3,(H,16,19,20);3H2,1-2H3,(H,5,6)/b10-6-,11-5+;
InChIKeyIAEOQZYEWORCTN-LPCIFZAASA-N
MW377.44 g/mol
LogP1.00
Rot. Bonds6

About (2E,3Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethylidene-N-formyl-3-methylhexa-3,5-dienamide;N-methylpropanamide

(2E,3Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethylidene-N-formyl-3-methylhexa-3,5-dienamide;N-methylpropanamide (PubChem CID 168945737) has the molecular formula C19H27N3O5 and a molecular weight of 377.44 g/mol. Its IUPAC name is (2E,3Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethylidene-N-formyl-3-methylhexa-3,5-dienamide;N-methylpropanamide.

Molecular Properties

Compound Name(2E,3Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethylidene-N-formyl-3-methylhexa-3,5-dienamide;N-methylpropanamide
PubChem CID168945737
Molecular FormulaC19H27N3O5
Molecular Weight377.44 g/mol
Exact Mass377.20
IUPAC Name(2E,3Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethylidene-N-formyl-3-methylhexa-3,5-dienamide;N-methylpropanamide
SMILESC=C/C=C(C)\C(=C/C)C(=O)N(C=O)C1CCC(=O)NC1=O.CCC(=O)NC
InChIInChI=1S/C15H18N2O4.C4H9NO/c1-4-6-10(3)11(5-2)15(21)17(9-18)12-7-8-13(19)16-14(12)20;1-3-4(6)5-2/h4-6,9,12H,1,7-8H2,2-3H3,(H,16,19,20);3H2,1-2H3,(H,5,6)/b10-6-,11-5+;
InChIKeyIAEOQZYEWORCTN-LPCIFZAASA-N
XLogP1.00
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

N-(2,6-dioxopiperidin-3-yl)-N-[(2-methylphenyl)methyl]formamide;N-methylpropanamide
CID 168945657
4-[amino-[(Z)-2-amino-3-(4-methylpiperazin-1-yl)prop-1-enyl]amino]butanoic acid;(2E,4Z)-N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-prop-1-en-2-ylhexa-2,4-dienamide;N-methylmethanamine
CID 166132626
N-(2,6-dioxopiperidin-3-yl)-N-hydroxyacetamide
CID 145229496
1-(2,6-dioxopiperidin-3-yl)-3-methyl-1-(methylamino)urea
CID 135296477
3-[[(3E)-5-ethyl-6-methylhepta-1,3,5-trien-4-yl]amino]piperidine-2,6-dione
CID 155207749
(Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethenylimino-N-methylpent-3-enamide
CID 135172470
N-(2,6-dioxopiperidin-3-yl)-N-formyl-2,5-dimethylcyclopenta-1,4-diene-1-carboxamide
CID 155358156
N-(2,6-dioxopiperidin-3-yl)-N-formyl-2,4-dimethylbenzamide;ethane
CID 170953386
3-[[(2E,4E)-6-amino-2,5-dimethylhexa-2,4-dienyl]amino]-N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methylbenzamide
CID 170384418
N-(2,6-dioxopiperidin-3-yl)-N-formyl-2,3-dimethylbenzamide;ethane
CID 163374446
(Z,2Z)-N-(2,6-dioxopiperidin-3-yl)-N-methyl-2-(1-oxopropan-2-ylidene)pent-3-enamide
CID 176988239
N-(2,6-dioxopiperidin-3-yl)-3-fluoro-N-formyl-2-methylbenzamide
CID 154690274

Frequently Asked Questions

What is the IUPAC name of (2E,3Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethylidene-N-formyl-3-methylhexa-3,5-dienamide;N-methylpropanamide?
The IUPAC name of (2E,3Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethylidene-N-formyl-3-methylhexa-3,5-dienamide;N-methylpropanamide (CID 168945737) is (2E,3Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethylidene-N-formyl-3-methylhexa-3,5-dienamide;N-methylpropanamide.
What is the SMILES notation for (2E,3Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethylidene-N-formyl-3-methylhexa-3,5-dienamide;N-methylpropanamide?
The canonical SMILES for (2E,3Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethylidene-N-formyl-3-methylhexa-3,5-dienamide;N-methylpropanamide is C=C/C=C(C)\C(=C/C)C(=O)N(C=O)C1CCC(=O)NC1=O.CCC(=O)NC.
What is the InChIKey of (2E,3Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethylidene-N-formyl-3-methylhexa-3,5-dienamide;N-methylpropanamide?
The InChIKey is IAEOQZYEWORCTN-LPCIFZAASA-N. The full InChI is InChI=1S/C15H18N2O4.C4H9NO/c1-4-6-10(3)11(5-2)15(21)17(9-18)12-7-8-13(19)16-14(12)20;1-3-4(6)5-2/h4-6,9,12H,1,7-8H2,2-3H3,(H,16,19,20);3H2,1-2H3,(H,5,6)/b10-6-,11-5+;.
What are the key properties of (2E,3Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethylidene-N-formyl-3-methylhexa-3,5-dienamide;N-methylpropanamide?
(2E,3Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethylidene-N-formyl-3-methylhexa-3,5-dienamide;N-methylpropanamide has a molecular weight of 377.44 g/mol, XLogP of 1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethylidene-N-formyl-3-methylhexa-3,5-dienamide;N-methylpropanamide is sourced from PubChem (CID 168945737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).