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

C15H18N2O3 — CID 102335116

IUPACN,N-diethyl-1-methyl-2-oxospiro[indole-3,3'-oxirane]-2'-carboxamide
SMILESCCN(CC)C(=O)C1OC12C(=O)N(C)c1ccccc12
InChIInChI=1S/C15H18N2O3/c1-4-17(5-2)13(18)12-15(20-12)10-8-6-7-9-11(10)16(3)14(15)19/h6-9,12H,4-5H2,1-3H3
InChIKeyHWEMGEJBXJLUDI-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.13
Rot. Bonds3

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

N,N-diethyl-1-methyl-2-oxospiro[indole-3,3'-oxirane]-2'-carboxamide (PubChem CID 102335116) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is N,N-diethyl-1-methyl-2-oxospiro[indole-3,3'-oxirane]-2'-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-1-methyl-2-oxospiro[indole-3,3'-oxirane]-2'-carboxamide
PubChem CID102335116
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC NameN,N-diethyl-1-methyl-2-oxospiro[indole-3,3'-oxirane]-2'-carboxamide
SMILESCCN(CC)C(=O)C1OC12C(=O)N(C)c1ccccc12
InChIInChI=1S/C15H18N2O3/c1-4-17(5-2)13(18)12-15(20-12)10-8-6-7-9-11(10)16(3)14(15)19/h6-9,12H,4-5H2,1-3H3
InChIKeyHWEMGEJBXJLUDI-UHFFFAOYSA-N
XLogP1.13
TPSA53.15 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.13
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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Related Compounds

N,N-diethyl-1,5-dimethyl-2-oxospiro[indole-3,3'-oxirane]-2'-carboxamide
CID 102335112
(2'R,3R)-7-bromo-N,N-diethyl-1-methyl-2-oxospiro[indole-3,3'-oxirane]-2'-carboxamide
CID 139093343
ethyl (2'S,3S)-1-methyl-2-oxospiro[indole-3,3'-oxirane]-2'-carboxylate
CID 102223024
(2R,3S)-N,N,3-triethyl-3-phenyloxirane-2-carboxamide
CID 101356265
3-ethyl-1,3-dimethylindol-2-one
CID 14449303
(3R)-3-hydroxy-1,3-dimethylindol-2-one
CID 102086681
3-acetyl-1,3-dimethylindol-2-one
CID 71513470
2-[(3R)-1,3-dimethyl-2-oxoindol-3-yl]acetic acid
CID 167685372
ethyl 3-fluoro-1-methyl-2-oxoindole-3-carboxylate
CID 135043371
2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-ethyl-N-methylacetamide
CID 95550196
(3R)-1-methyl-3-(2-oxopentyl)-3-propan-2-ylindol-2-one
CID 166439822
3-(hydroxymethyl)-1-methyl-3-(3-oxobutyl)indol-2-one
CID 132567366

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-methyl-2-oxospiro[indole-3,3'-oxirane]-2'-carboxamide?
The IUPAC name of N,N-diethyl-1-methyl-2-oxospiro[indole-3,3'-oxirane]-2'-carboxamide (CID 102335116) is N,N-diethyl-1-methyl-2-oxospiro[indole-3,3'-oxirane]-2'-carboxamide.
What is the SMILES notation for N,N-diethyl-1-methyl-2-oxospiro[indole-3,3'-oxirane]-2'-carboxamide?
The canonical SMILES for N,N-diethyl-1-methyl-2-oxospiro[indole-3,3'-oxirane]-2'-carboxamide is CCN(CC)C(=O)C1OC12C(=O)N(C)c1ccccc12.
What is the InChIKey of N,N-diethyl-1-methyl-2-oxospiro[indole-3,3'-oxirane]-2'-carboxamide?
The InChIKey is HWEMGEJBXJLUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-4-17(5-2)13(18)12-15(20-12)10-8-6-7-9-11(10)16(3)14(15)19/h6-9,12H,4-5H2,1-3H3.
What are the key properties of N,N-diethyl-1-methyl-2-oxospiro[indole-3,3'-oxirane]-2'-carboxamide?
N,N-diethyl-1-methyl-2-oxospiro[indole-3,3'-oxirane]-2'-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 1.13, 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-methyl-2-oxospiro[indole-3,3'-oxirane]-2'-carboxamide is sourced from PubChem (CID 102335116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).