(E)-3-[(butanoylamino)methyl]-N-(2,6-dioxopiperidin-3-yl)-N-ethyl-2-methylidenehex-3-enamide

C19H29N3O4 — CID 144742551

IUPAC(E)-3-[(butanoylamino)methyl]-N-(2,6-dioxopiperidin-3-yl)-N-ethyl-2-methylidenehex-3-enamide
SMILESC=C(C(=O)N(CC)C1CCC(=O)NC1=O)/C(=C\CC)CNC(=O)CCC
InChIInChI=1S/C19H29N3O4/c1-5-8-14(12-20-16(23)9-6-2)13(4)19(26)22(7-3)15-10-11-17(24)21-18(15)25/h8,15H,4-7,9-12H2,1-3H3,(H,20,23)(H,21,24,25)/b14-8-
InChIKeyQGUFPHMJXQALOM-ZSOIEALJSA-N
MW363.46 g/mol
LogP1.45
Rot. Bonds9

About (E)-3-[(butanoylamino)methyl]-N-(2,6-dioxopiperidin-3-yl)-N-ethyl-2-methylidenehex-3-enamide

(E)-3-[(butanoylamino)methyl]-N-(2,6-dioxopiperidin-3-yl)-N-ethyl-2-methylidenehex-3-enamide (PubChem CID 144742551) has the molecular formula C19H29N3O4 and a molecular weight of 363.46 g/mol. Its IUPAC name is (E)-3-[(butanoylamino)methyl]-N-(2,6-dioxopiperidin-3-yl)-N-ethyl-2-methylidenehex-3-enamide.

Molecular Properties

Compound Name(E)-3-[(butanoylamino)methyl]-N-(2,6-dioxopiperidin-3-yl)-N-ethyl-2-methylidenehex-3-enamide
PubChem CID144742551
Molecular FormulaC19H29N3O4
Molecular Weight363.46 g/mol
Exact Mass363.22
IUPAC Name(E)-3-[(butanoylamino)methyl]-N-(2,6-dioxopiperidin-3-yl)-N-ethyl-2-methylidenehex-3-enamide
SMILESC=C(C(=O)N(CC)C1CCC(=O)NC1=O)/C(=C\CC)CNC(=O)CCC
InChIInChI=1S/C19H29N3O4/c1-5-8-14(12-20-16(23)9-6-2)13(4)19(26)22(7-3)15-10-11-17(24)21-18(15)25/h8,15H,4-7,9-12H2,1-3H3,(H,20,23)(H,21,24,25)/b14-8-
InChIKeyQGUFPHMJXQALOM-ZSOIEALJSA-N
XLogP1.45
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 51.45
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

(E)-N-(2,6-dioxopiperidin-3-yl)-2-ethyl-N-(1-hydroxyethyl)pent-2-enamide
CID 166993001
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CID 139363228
(Z)-N-(2,6-dioxopiperidin-3-yl)-N-methylpent-3-enamide
CID 167136379
N',N'-bis(2,6-dioxopiperidin-3-yl)octanediamide
CID 175152046
N-(2,6-dioxopiperidin-3-yl)-N-hydroxyacetamide
CID 145229496
1-(2,6-dioxopiperidin-3-yl)-3-methyl-1-(methylamino)urea
CID 135296477
(2E,3Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethylidene-N-formyl-3-methylhexa-3,5-dienamide;N-methylpropanamide
CID 168945737
3-icos-8-en-8-ylpyrrolidine-2,5-dione
CID 68599740
(3S)-3-[(E,2R)-2-hydroxy-5-methyl-4-oxooct-5-enyl]piperidine-2,6-dione
CID 162882457
N-(4-bromo-2-methylphenyl)-N-(2,6-dioxopiperidin-3-yl)butanamide
CID 176968593
N-[(3S)-2,6-dioxopiperidin-3-yl]-2-methyl-N-prop-1-en-2-yl-5-[(sulfanylamino)methyl]benzamide
CID 170191751
N-(4-bromo-2-methylphenyl)-N-(2,6-dioxopiperidin-3-yl)butanamide;ethane
CID 176968592

Frequently Asked Questions

What is the IUPAC name of (E)-3-[(butanoylamino)methyl]-N-(2,6-dioxopiperidin-3-yl)-N-ethyl-2-methylidenehex-3-enamide?
The IUPAC name of (E)-3-[(butanoylamino)methyl]-N-(2,6-dioxopiperidin-3-yl)-N-ethyl-2-methylidenehex-3-enamide (CID 144742551) is (E)-3-[(butanoylamino)methyl]-N-(2,6-dioxopiperidin-3-yl)-N-ethyl-2-methylidenehex-3-enamide.
What is the SMILES notation for (E)-3-[(butanoylamino)methyl]-N-(2,6-dioxopiperidin-3-yl)-N-ethyl-2-methylidenehex-3-enamide?
The canonical SMILES for (E)-3-[(butanoylamino)methyl]-N-(2,6-dioxopiperidin-3-yl)-N-ethyl-2-methylidenehex-3-enamide is C=C(C(=O)N(CC)C1CCC(=O)NC1=O)/C(=C\CC)CNC(=O)CCC.
What is the InChIKey of (E)-3-[(butanoylamino)methyl]-N-(2,6-dioxopiperidin-3-yl)-N-ethyl-2-methylidenehex-3-enamide?
The InChIKey is QGUFPHMJXQALOM-ZSOIEALJSA-N. The full InChI is InChI=1S/C19H29N3O4/c1-5-8-14(12-20-16(23)9-6-2)13(4)19(26)22(7-3)15-10-11-17(24)21-18(15)25/h8,15H,4-7,9-12H2,1-3H3,(H,20,23)(H,21,24,25)/b14-8-.
What are the key properties of (E)-3-[(butanoylamino)methyl]-N-(2,6-dioxopiperidin-3-yl)-N-ethyl-2-methylidenehex-3-enamide?
(E)-3-[(butanoylamino)methyl]-N-(2,6-dioxopiperidin-3-yl)-N-ethyl-2-methylidenehex-3-enamide has a molecular weight of 363.46 g/mol, XLogP of 1.45, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[(butanoylamino)methyl]-N-(2,6-dioxopiperidin-3-yl)-N-ethyl-2-methylidenehex-3-enamide is sourced from PubChem (CID 144742551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).