(E)-N-(2,6-dioxopiperidin-3-yl)-2-ethyl-3-(2-phenylmethoxyethylperoxy)but-2-enamide

C20H26N2O6 — CID 134581665

IUPAC(E)-N-(2,6-dioxopiperidin-3-yl)-2-ethyl-3-(2-phenylmethoxyethylperoxy)but-2-enamide
SMILESCC/C(C(=O)NC1CCC(=O)NC1=O)=C(/C)OOCCOCc1ccccc1
InChIInChI=1S/C20H26N2O6/c1-3-16(19(24)21-17-9-10-18(23)22-20(17)25)14(2)28-27-12-11-26-13-15-7-5-4-6-8-15/h4-8,17H,3,9-13H2,1-2H3,(H,21,24)(H,22,23,25)/b16-14+
InChIKeyFVFNONINFLPKIE-JQIJEIRASA-N
MW390.44 g/mol
LogP1.76
Rot. Bonds10

About (E)-N-(2,6-dioxopiperidin-3-yl)-2-ethyl-3-(2-phenylmethoxyethylperoxy)but-2-enamide

(E)-N-(2,6-dioxopiperidin-3-yl)-2-ethyl-3-(2-phenylmethoxyethylperoxy)but-2-enamide (PubChem CID 134581665) has the molecular formula C20H26N2O6 and a molecular weight of 390.44 g/mol. Its IUPAC name is (E)-N-(2,6-dioxopiperidin-3-yl)-2-ethyl-3-(2-phenylmethoxyethylperoxy)but-2-enamide.

Molecular Properties

Compound Name(E)-N-(2,6-dioxopiperidin-3-yl)-2-ethyl-3-(2-phenylmethoxyethylperoxy)but-2-enamide
PubChem CID134581665
Molecular FormulaC20H26N2O6
Molecular Weight390.44 g/mol
Exact Mass390.18
IUPAC Name(E)-N-(2,6-dioxopiperidin-3-yl)-2-ethyl-3-(2-phenylmethoxyethylperoxy)but-2-enamide
SMILESCC/C(C(=O)NC1CCC(=O)NC1=O)=C(/C)OOCCOCc1ccccc1
InChIInChI=1S/C20H26N2O6/c1-3-16(19(24)21-17-9-10-18(23)22-20(17)25)14(2)28-27-12-11-26-13-15-7-5-4-6-8-15/h4-8,17H,3,9-13H2,1-2H3,(H,21,24)(H,22,23,25)/b16-14+
InChIKeyFVFNONINFLPKIE-JQIJEIRASA-N
XLogP1.76
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

benzyl N-[(1S)-1-[(1-acetyl-3-oxopiperidin-4-yl)carbamoyl]-3-methylbutyl]carbamate
CID 10668881
benzyl N-[(2S)-1-oxo-1-piperidin-1-yl-6-(prop-2-enoylamino)hexan-2-yl]carbamate
CID 71459380
benzyl N-[(3S)-2-oxopiperidin-3-yl]carbamate
CID 11482034
benzyl N-[3-[(2R,5S)-5-isopropyl-3,6-dioxo-piperazin-2-yl]propyl]carbamate
CID 71454122
benzyl N-[4-[(2S,5S)-5-isopropyl-3,6-dioxo-piperazin-2-yl]butyl]carbamate
CID 71461297
benzyl N-[3-[(2S,5S)-5-isopropyl-3,6-dioxo-piperazin-2-yl]propyl]carbamate
CID 71455804
Benzyl 3-[(2S)-3,6-dioxopiperazin-2-yl]propanoate
CID 155530987
benzyl (E,4S)-7-amino-4-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-7-oxohept-2-enoate
CID 172440426
(S)-Benzyl (2,6-dioxopiperidin-3-yl)carbamate
CID 7021513
(R)-3-N-Cbz-amino-2,6-dioxo-piperidine
CID 7173935
benzyl (4R)-5-amino-4-[[(2S)-2-aminopropanoyl]amino]-5-oxopentanoate
CID 12873811
Benzyl (2-oxopiperidin-3-yl)carbamate
CID 13556445

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2,6-dioxopiperidin-3-yl)-2-ethyl-3-(2-phenylmethoxyethylperoxy)but-2-enamide?
The IUPAC name of (E)-N-(2,6-dioxopiperidin-3-yl)-2-ethyl-3-(2-phenylmethoxyethylperoxy)but-2-enamide (CID 134581665) is (E)-N-(2,6-dioxopiperidin-3-yl)-2-ethyl-3-(2-phenylmethoxyethylperoxy)but-2-enamide.
What is the SMILES notation for (E)-N-(2,6-dioxopiperidin-3-yl)-2-ethyl-3-(2-phenylmethoxyethylperoxy)but-2-enamide?
The canonical SMILES for (E)-N-(2,6-dioxopiperidin-3-yl)-2-ethyl-3-(2-phenylmethoxyethylperoxy)but-2-enamide is CC/C(C(=O)NC1CCC(=O)NC1=O)=C(/C)OOCCOCc1ccccc1.
What is the InChIKey of (E)-N-(2,6-dioxopiperidin-3-yl)-2-ethyl-3-(2-phenylmethoxyethylperoxy)but-2-enamide?
The InChIKey is FVFNONINFLPKIE-JQIJEIRASA-N. The full InChI is InChI=1S/C20H26N2O6/c1-3-16(19(24)21-17-9-10-18(23)22-20(17)25)14(2)28-27-12-11-26-13-15-7-5-4-6-8-15/h4-8,17H,3,9-13H2,1-2H3,(H,21,24)(H,22,23,25)/b16-14+.
What are the key properties of (E)-N-(2,6-dioxopiperidin-3-yl)-2-ethyl-3-(2-phenylmethoxyethylperoxy)but-2-enamide?
(E)-N-(2,6-dioxopiperidin-3-yl)-2-ethyl-3-(2-phenylmethoxyethylperoxy)but-2-enamide has a molecular weight of 390.44 g/mol, XLogP of 1.76, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2,6-dioxopiperidin-3-yl)-2-ethyl-3-(2-phenylmethoxyethylperoxy)but-2-enamide is sourced from PubChem (CID 134581665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).