ethane;3-[2-(2-ethyl-4-methylphenyl)-2-oxoethyl]piperidine-2,6-dione

C18H25NO3 — CID 171788463

IUPACethane;3-[2-(2-ethyl-4-methylphenyl)-2-oxoethyl]piperidine-2,6-dione
SMILESCC.CCc1cc(C)ccc1C(=O)CC1CCC(=O)NC1=O
InChIInChI=1S/C16H19NO3.C2H6/c1-3-11-8-10(2)4-6-13(11)14(18)9-12-5-7-15(19)17-16(12)20;1-2/h4,6,8,12H,3,5,7,9H2,1-2H3,(H,17,19,20);1-2H3
InChIKeyMIOWSQDJDDDMLD-UHFFFAOYSA-N
MW303.40 g/mol
LogP3.21
Rot. Bonds4

About ethane;3-[2-(2-ethyl-4-methylphenyl)-2-oxoethyl]piperidine-2,6-dione

ethane;3-[2-(2-ethyl-4-methylphenyl)-2-oxoethyl]piperidine-2,6-dione (PubChem CID 171788463) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is ethane;3-[2-(2-ethyl-4-methylphenyl)-2-oxoethyl]piperidine-2,6-dione.

Molecular Properties

Compound Nameethane;3-[2-(2-ethyl-4-methylphenyl)-2-oxoethyl]piperidine-2,6-dione
PubChem CID171788463
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Nameethane;3-[2-(2-ethyl-4-methylphenyl)-2-oxoethyl]piperidine-2,6-dione
SMILESCC.CCc1cc(C)ccc1C(=O)CC1CCC(=O)NC1=O
InChIInChI=1S/C16H19NO3.C2H6/c1-3-11-8-10(2)4-6-13(11)14(18)9-12-5-7-15(19)17-16(12)20;1-2/h4,6,8,12H,3,5,7,9H2,1-2H3,(H,17,19,20);1-2H3
InChIKeyMIOWSQDJDDDMLD-UHFFFAOYSA-N
XLogP3.21
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;3-[2-(2-ethyl-4-methylphenyl)-2-oxoethyl]piperidine-2,6-dione?
The IUPAC name of ethane;3-[2-(2-ethyl-4-methylphenyl)-2-oxoethyl]piperidine-2,6-dione (CID 171788463) is ethane;3-[2-(2-ethyl-4-methylphenyl)-2-oxoethyl]piperidine-2,6-dione.
What is the SMILES notation for ethane;3-[2-(2-ethyl-4-methylphenyl)-2-oxoethyl]piperidine-2,6-dione?
The canonical SMILES for ethane;3-[2-(2-ethyl-4-methylphenyl)-2-oxoethyl]piperidine-2,6-dione is CC.CCc1cc(C)ccc1C(=O)CC1CCC(=O)NC1=O.
What is the InChIKey of ethane;3-[2-(2-ethyl-4-methylphenyl)-2-oxoethyl]piperidine-2,6-dione?
The InChIKey is MIOWSQDJDDDMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3.C2H6/c1-3-11-8-10(2)4-6-13(11)14(18)9-12-5-7-15(19)17-16(12)20;1-2/h4,6,8,12H,3,5,7,9H2,1-2H3,(H,17,19,20);1-2H3.
What are the key properties of ethane;3-[2-(2-ethyl-4-methylphenyl)-2-oxoethyl]piperidine-2,6-dione?
ethane;3-[2-(2-ethyl-4-methylphenyl)-2-oxoethyl]piperidine-2,6-dione has a molecular weight of 303.40 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[2-(2-ethyl-4-methylphenyl)-2-oxoethyl]piperidine-2,6-dione is sourced from PubChem (CID 171788463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).