5-ethoxy-N-methyl-3-oxo-N-(2-pyrrolidin-1-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide

C23H32N2O4 — CID 11596479

IUPAC5-ethoxy-N-methyl-3-oxo-N-(2-pyrrolidin-1-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide
SMILESCCOc1ccc2c(c1)C(=O)OC21CCC(C(=O)N(C)CCN2CCCC2)CC1
InChIInChI=1S/C23H32N2O4/c1-3-28-18-6-7-20-19(16-18)22(27)29-23(20)10-8-17(9-11-23)21(26)24(2)14-15-25-12-4-5-13-25/h6-7,16-17H,3-5,8-15H2,1-2H3
InChIKeyDZHNGHBKGHNPAZ-UHFFFAOYSA-N
MW400.52 g/mol
LogP3.20
Rot. Bonds6

About 5-ethoxy-N-methyl-3-oxo-N-(2-pyrrolidin-1-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide

5-ethoxy-N-methyl-3-oxo-N-(2-pyrrolidin-1-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide (PubChem CID 11596479) has the molecular formula C23H32N2O4 and a molecular weight of 400.52 g/mol. Its IUPAC name is 5-ethoxy-N-methyl-3-oxo-N-(2-pyrrolidin-1-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide.

Molecular Properties

Compound Name5-ethoxy-N-methyl-3-oxo-N-(2-pyrrolidin-1-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide
PubChem CID11596479
Molecular FormulaC23H32N2O4
Molecular Weight400.52 g/mol
Exact Mass400.24
IUPAC Name5-ethoxy-N-methyl-3-oxo-N-(2-pyrrolidin-1-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide
SMILESCCOc1ccc2c(c1)C(=O)OC21CCC(C(=O)N(C)CCN2CCCC2)CC1
InChIInChI=1S/C23H32N2O4/c1-3-28-18-6-7-20-19(16-18)22(27)29-23(20)10-8-17(9-11-23)21(26)24(2)14-15-25-12-4-5-13-25/h6-7,16-17H,3-5,8-15H2,1-2H3
InChIKeyDZHNGHBKGHNPAZ-UHFFFAOYSA-N
XLogP3.20
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-N-methyl-3-oxo-N-(2-pyrrolidin-1-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide?
The IUPAC name of 5-ethoxy-N-methyl-3-oxo-N-(2-pyrrolidin-1-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide (CID 11596479) is 5-ethoxy-N-methyl-3-oxo-N-(2-pyrrolidin-1-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide.
What is the SMILES notation for 5-ethoxy-N-methyl-3-oxo-N-(2-pyrrolidin-1-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide?
The canonical SMILES for 5-ethoxy-N-methyl-3-oxo-N-(2-pyrrolidin-1-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide is CCOc1ccc2c(c1)C(=O)OC21CCC(C(=O)N(C)CCN2CCCC2)CC1.
What is the InChIKey of 5-ethoxy-N-methyl-3-oxo-N-(2-pyrrolidin-1-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide?
The InChIKey is DZHNGHBKGHNPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O4/c1-3-28-18-6-7-20-19(16-18)22(27)29-23(20)10-8-17(9-11-23)21(26)24(2)14-15-25-12-4-5-13-25/h6-7,16-17H,3-5,8-15H2,1-2H3.
What are the key properties of 5-ethoxy-N-methyl-3-oxo-N-(2-pyrrolidin-1-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide?
5-ethoxy-N-methyl-3-oxo-N-(2-pyrrolidin-1-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide has a molecular weight of 400.52 g/mol, XLogP of 3.20, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-N-methyl-3-oxo-N-(2-pyrrolidin-1-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide is sourced from PubChem (CID 11596479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).