2-(furan-2-yl)ethyl N-[1-(2,3-dioxopiperidin-4-yl)-4-methyl-2-oxopentan-3-yl]carbamate

C18H24N2O6 — CID 159358466

IUPAC2-(furan-2-yl)ethyl N-[1-(2,3-dioxopiperidin-4-yl)-4-methyl-2-oxopentan-3-yl]carbamate
SMILESCC(C)C(NC(=O)OCCc1ccco1)C(=O)CC1CCNC(=O)C1=O
InChIInChI=1S/C18H24N2O6/c1-11(2)15(14(21)10-12-5-7-19-17(23)16(12)22)20-18(24)26-9-6-13-4-3-8-25-13/h3-4,8,11-12,15H,5-7,9-10H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyLIFMPEAUYBSBND-UHFFFAOYSA-N
MW364.40 g/mol
LogP1.24
Rot. Bonds8

About 2-(furan-2-yl)ethyl N-[1-(2,3-dioxopiperidin-4-yl)-4-methyl-2-oxopentan-3-yl]carbamate

2-(furan-2-yl)ethyl N-[1-(2,3-dioxopiperidin-4-yl)-4-methyl-2-oxopentan-3-yl]carbamate (PubChem CID 159358466) has the molecular formula C18H24N2O6 and a molecular weight of 364.40 g/mol. Its IUPAC name is 2-(furan-2-yl)ethyl N-[1-(2,3-dioxopiperidin-4-yl)-4-methyl-2-oxopentan-3-yl]carbamate.

Molecular Properties

Compound Name2-(furan-2-yl)ethyl N-[1-(2,3-dioxopiperidin-4-yl)-4-methyl-2-oxopentan-3-yl]carbamate
PubChem CID159358466
Molecular FormulaC18H24N2O6
Molecular Weight364.40 g/mol
Exact Mass364.16
IUPAC Name2-(furan-2-yl)ethyl N-[1-(2,3-dioxopiperidin-4-yl)-4-methyl-2-oxopentan-3-yl]carbamate
SMILESCC(C)C(NC(=O)OCCc1ccco1)C(=O)CC1CCNC(=O)C1=O
InChIInChI=1S/C18H24N2O6/c1-11(2)15(14(21)10-12-5-7-19-17(23)16(12)22)20-18(24)26-9-6-13-4-3-8-25-13/h3-4,8,11-12,15H,5-7,9-10H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyLIFMPEAUYBSBND-UHFFFAOYSA-N
XLogP1.24
TPSA114.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

benzyl N-[1-(2,3-dioxoazocan-4-yl)-4-methyl-2-oxopentan-3-yl]carbamate
CID 159420540
benzyl N-[1-(7,8-dioxo-4,5,6,9,10,11-hexahydrothieno[3,4-d]azecin-9-yl)-4-methyl-2-oxopentan-3-yl]carbamate
CID 152807149
benzyl N-[1-(5,6-dioxo-4,11,12-triazabicyclo[8.2.1]trideca-1(12),10(13)-dien-7-yl)-4-methyl-2-oxopentan-3-yl]carbamate
CID 158069653
2,2-dimethylpropyl N-[1-(5,6-dioxo-4,12,15-triazabicyclo[9.3.1]pentadeca-1(15),11,13-trien-7-yl)-4-methyl-2-oxopentan-3-yl]carbamate
CID 159638464
benzyl N-[1-(5,6-dioxo-12-thia-4,14-diazabicyclo[9.2.1]tetradeca-1(13),11(14)-dien-7-yl)-4-methyl-2-oxopentan-3-yl]carbamate
CID 147344240
2-(2-methoxyethoxy)ethyl N-[1-(6,7-dioxo-5,8,9,10-tetrahydro-4H-[1,3]thiazolo[5,4-c]azonin-8-yl)-4-methyl-2-oxopentan-3-yl]carbamate
CID 147516456
benzyl N-[1-(6,7-dioxo-13-oxa-5,11-diazabicyclo[8.2.1]trideca-1(12),10-dien-8-yl)-4-methyl-2-oxopentan-3-yl]carbamate
CID 147729123
2-(2-methoxyethoxy)ethyl N-[1-(4,5-dioxo-11-thia-3,9,10-triazabicyclo[6.2.1]undeca-1(10),8-dien-6-yl)-4-methyl-2-oxopentan-3-yl]carbamate
CID 158742444
ethyl N-[4-(furan-2-yl)butan-2-yl]carbamate
CID 60651451
benzyl N-[1-(7,8-dioxo-5,6,9,10,11,12-hexahydropyrido[3,4-e]azecin-6-yl)-4-methyl-2-oxopentan-3-yl]carbamate
CID 159033028
2,2-dimethylpropyl N-[1-(5,6-dioxo-4,13,14-triazabicyclo[10.3.0]pentadeca-1(12),14-dien-7-yl)-4-methyl-2-oxopentan-3-yl]carbamate
CID 146889761
(2-amino-2-methylpropyl) 5-(2,3-dioxopiperidin-4-yl)-4-oxo-3-propan-2-ylpentanoate
CID 149084260

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)ethyl N-[1-(2,3-dioxopiperidin-4-yl)-4-methyl-2-oxopentan-3-yl]carbamate?
The IUPAC name of 2-(furan-2-yl)ethyl N-[1-(2,3-dioxopiperidin-4-yl)-4-methyl-2-oxopentan-3-yl]carbamate (CID 159358466) is 2-(furan-2-yl)ethyl N-[1-(2,3-dioxopiperidin-4-yl)-4-methyl-2-oxopentan-3-yl]carbamate.
What is the SMILES notation for 2-(furan-2-yl)ethyl N-[1-(2,3-dioxopiperidin-4-yl)-4-methyl-2-oxopentan-3-yl]carbamate?
The canonical SMILES for 2-(furan-2-yl)ethyl N-[1-(2,3-dioxopiperidin-4-yl)-4-methyl-2-oxopentan-3-yl]carbamate is CC(C)C(NC(=O)OCCc1ccco1)C(=O)CC1CCNC(=O)C1=O.
What is the InChIKey of 2-(furan-2-yl)ethyl N-[1-(2,3-dioxopiperidin-4-yl)-4-methyl-2-oxopentan-3-yl]carbamate?
The InChIKey is LIFMPEAUYBSBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O6/c1-11(2)15(14(21)10-12-5-7-19-17(23)16(12)22)20-18(24)26-9-6-13-4-3-8-25-13/h3-4,8,11-12,15H,5-7,9-10H2,1-2H3,(H,19,23)(H,20,24).
What are the key properties of 2-(furan-2-yl)ethyl N-[1-(2,3-dioxopiperidin-4-yl)-4-methyl-2-oxopentan-3-yl]carbamate?
2-(furan-2-yl)ethyl N-[1-(2,3-dioxopiperidin-4-yl)-4-methyl-2-oxopentan-3-yl]carbamate has a molecular weight of 364.40 g/mol, XLogP of 1.24, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)ethyl N-[1-(2,3-dioxopiperidin-4-yl)-4-methyl-2-oxopentan-3-yl]carbamate is sourced from PubChem (CID 159358466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).