N,N-diethyl-1,5-dimethyl-2-oxospiro[indole-3,3'-oxirane]-2'-carboxamide

C16H20N2O3 — CID 102335112

IUPACN,N-diethyl-1,5-dimethyl-2-oxospiro[indole-3,3'-oxirane]-2'-carboxamide
SMILESCCN(CC)C(=O)C1OC12C(=O)N(C)c1ccc(C)cc12
InChIInChI=1S/C16H20N2O3/c1-5-18(6-2)14(19)13-16(21-13)11-9-10(3)7-8-12(11)17(4)15(16)20/h7-9,13H,5-6H2,1-4H3
InChIKeyXIKPLASVUFVLJO-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.43
Rot. Bonds3

About N,N-diethyl-1,5-dimethyl-2-oxospiro[indole-3,3'-oxirane]-2'-carboxamide

N,N-diethyl-1,5-dimethyl-2-oxospiro[indole-3,3'-oxirane]-2'-carboxamide (PubChem CID 102335112) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is N,N-diethyl-1,5-dimethyl-2-oxospiro[indole-3,3'-oxirane]-2'-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-1,5-dimethyl-2-oxospiro[indole-3,3'-oxirane]-2'-carboxamide
PubChem CID102335112
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC NameN,N-diethyl-1,5-dimethyl-2-oxospiro[indole-3,3'-oxirane]-2'-carboxamide
SMILESCCN(CC)C(=O)C1OC12C(=O)N(C)c1ccc(C)cc12
InChIInChI=1S/C16H20N2O3/c1-5-18(6-2)14(19)13-16(21-13)11-9-10(3)7-8-12(11)17(4)15(16)20/h7-9,13H,5-6H2,1-4H3
InChIKeyXIKPLASVUFVLJO-UHFFFAOYSA-N
XLogP1.43
TPSA53.15 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1,5-dimethyl-2-oxospiro[indole-3,3'-oxirane]-2'-carboxamide?
The IUPAC name of N,N-diethyl-1,5-dimethyl-2-oxospiro[indole-3,3'-oxirane]-2'-carboxamide (CID 102335112) is N,N-diethyl-1,5-dimethyl-2-oxospiro[indole-3,3'-oxirane]-2'-carboxamide.
What is the SMILES notation for N,N-diethyl-1,5-dimethyl-2-oxospiro[indole-3,3'-oxirane]-2'-carboxamide?
The canonical SMILES for N,N-diethyl-1,5-dimethyl-2-oxospiro[indole-3,3'-oxirane]-2'-carboxamide is CCN(CC)C(=O)C1OC12C(=O)N(C)c1ccc(C)cc12.
What is the InChIKey of N,N-diethyl-1,5-dimethyl-2-oxospiro[indole-3,3'-oxirane]-2'-carboxamide?
The InChIKey is XIKPLASVUFVLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-5-18(6-2)14(19)13-16(21-13)11-9-10(3)7-8-12(11)17(4)15(16)20/h7-9,13H,5-6H2,1-4H3.
What are the key properties of N,N-diethyl-1,5-dimethyl-2-oxospiro[indole-3,3'-oxirane]-2'-carboxamide?
N,N-diethyl-1,5-dimethyl-2-oxospiro[indole-3,3'-oxirane]-2'-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1,5-dimethyl-2-oxospiro[indole-3,3'-oxirane]-2'-carboxamide is sourced from PubChem (CID 102335112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).