N-[[(Z)-but-1-enoxy]methyl]-N-(2,6-dioxopiperidin-3-yl)acetamide

C12H18N2O4 — CID 139363228

IUPACN-[[(Z)-but-1-enoxy]methyl]-N-(2,6-dioxopiperidin-3-yl)acetamide
SMILESCC/C=C\OCN(C(C)=O)C1CCC(=O)NC1=O
InChIInChI=1S/C12H18N2O4/c1-3-4-7-18-8-14(9(2)15)10-5-6-11(16)13-12(10)17/h4,7,10H,3,5-6,8H2,1-2H3,(H,13,16,17)/b7-4-
InChIKeySPBCCHWKGITSDK-DAXSKMNVSA-N
MW254.29 g/mol
LogP0.54
Rot. Bonds5

About N-[[(Z)-but-1-enoxy]methyl]-N-(2,6-dioxopiperidin-3-yl)acetamide

N-[[(Z)-but-1-enoxy]methyl]-N-(2,6-dioxopiperidin-3-yl)acetamide (PubChem CID 139363228) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is N-[[(Z)-but-1-enoxy]methyl]-N-(2,6-dioxopiperidin-3-yl)acetamide.

Molecular Properties

Compound NameN-[[(Z)-but-1-enoxy]methyl]-N-(2,6-dioxopiperidin-3-yl)acetamide
PubChem CID139363228
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC NameN-[[(Z)-but-1-enoxy]methyl]-N-(2,6-dioxopiperidin-3-yl)acetamide
SMILESCC/C=C\OCN(C(C)=O)C1CCC(=O)NC1=O
InChIInChI=1S/C12H18N2O4/c1-3-4-7-18-8-14(9(2)15)10-5-6-11(16)13-12(10)17/h4,7,10H,3,5-6,8H2,1-2H3,(H,13,16,17)/b7-4-
InChIKeySPBCCHWKGITSDK-DAXSKMNVSA-N
XLogP0.54
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-(2,6-dioxopiperidin-3-yl)-N-hydroxyacetamide
CID 145229496
(Z)-N-(2,6-dioxopiperidin-3-yl)-N-methylpent-3-enamide
CID 167136379
(E)-N-(2,6-dioxopiperidin-3-yl)-2-ethyl-N-(1-hydroxyethyl)pent-2-enamide
CID 166993001
(Z,3Z)-N-(2,6-dioxopiperidin-3-yl)-3-ethylidenehept-4-enamide
CID 177240315
(3Z,5E)-3-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-2-methyliminoocta-3,5-dienal
CID 166981356
(Z,3Z)-N-(2,6-dioxopiperidin-3-yl)-3-ethylidenehept-4-enamide;ethane
CID 177240314
(E)-3-[(butanoylamino)methyl]-N-(2,6-dioxopiperidin-3-yl)-N-ethyl-2-methylidenehex-3-enamide
CID 144742551
N',N'-bis(2,6-dioxopiperidin-3-yl)octanediamide
CID 175152046
1-(2,6-dioxopiperidin-3-yl)-3-methyl-1-(methylamino)urea
CID 135296477
N-(2,6-dioxopiperidin-3-yl)-N-(4-methoxythiophen-2-yl)acetamide
CID 175831646
(2,5-dioxopyrrolidin-3-yl) pent-2-enoate
CID 139903070
(Z,2Z)-N-(2,6-dioxopiperidin-3-yl)-N-methyl-2-(1-oxopropan-2-ylidene)pent-3-enamide
CID 176988239

Frequently Asked Questions

What is the IUPAC name of N-[[(Z)-but-1-enoxy]methyl]-N-(2,6-dioxopiperidin-3-yl)acetamide?
The IUPAC name of N-[[(Z)-but-1-enoxy]methyl]-N-(2,6-dioxopiperidin-3-yl)acetamide (CID 139363228) is N-[[(Z)-but-1-enoxy]methyl]-N-(2,6-dioxopiperidin-3-yl)acetamide.
What is the SMILES notation for N-[[(Z)-but-1-enoxy]methyl]-N-(2,6-dioxopiperidin-3-yl)acetamide?
The canonical SMILES for N-[[(Z)-but-1-enoxy]methyl]-N-(2,6-dioxopiperidin-3-yl)acetamide is CC/C=C\OCN(C(C)=O)C1CCC(=O)NC1=O.
What is the InChIKey of N-[[(Z)-but-1-enoxy]methyl]-N-(2,6-dioxopiperidin-3-yl)acetamide?
The InChIKey is SPBCCHWKGITSDK-DAXSKMNVSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-3-4-7-18-8-14(9(2)15)10-5-6-11(16)13-12(10)17/h4,7,10H,3,5-6,8H2,1-2H3,(H,13,16,17)/b7-4-.
What are the key properties of N-[[(Z)-but-1-enoxy]methyl]-N-(2,6-dioxopiperidin-3-yl)acetamide?
N-[[(Z)-but-1-enoxy]methyl]-N-(2,6-dioxopiperidin-3-yl)acetamide has a molecular weight of 254.29 g/mol, XLogP of 0.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(Z)-but-1-enoxy]methyl]-N-(2,6-dioxopiperidin-3-yl)acetamide is sourced from PubChem (CID 139363228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).