N-(1-cyclopentylpyrrolidin-3-yl)-N-methyl-3-oxospiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide

C24H32N2O3 — CID 11509488

IUPACN-(1-cyclopentylpyrrolidin-3-yl)-N-methyl-3-oxospiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide
SMILESCN(C(=O)C1CCC2(CC1)OC(=O)c1ccccc12)C1CCN(C2CCCC2)C1
InChIInChI=1S/C24H32N2O3/c1-25(19-12-15-26(16-19)18-6-2-3-7-18)22(27)17-10-13-24(14-11-17)21-9-5-4-8-20(21)23(28)29-24/h4-5,8-9,17-19H,2-3,6-7,10-16H2,1H3
InChIKeyQOPIMOSUCNUWHK-UHFFFAOYSA-N
MW396.53 g/mol
LogP3.72
Rot. Bonds3

About N-(1-cyclopentylpyrrolidin-3-yl)-N-methyl-3-oxospiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide

N-(1-cyclopentylpyrrolidin-3-yl)-N-methyl-3-oxospiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide (PubChem CID 11509488) has the molecular formula C24H32N2O3 and a molecular weight of 396.53 g/mol. Its IUPAC name is N-(1-cyclopentylpyrrolidin-3-yl)-N-methyl-3-oxospiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopentylpyrrolidin-3-yl)-N-methyl-3-oxospiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide
PubChem CID11509488
Molecular FormulaC24H32N2O3
Molecular Weight396.53 g/mol
Exact Mass396.24
IUPAC NameN-(1-cyclopentylpyrrolidin-3-yl)-N-methyl-3-oxospiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide
SMILESCN(C(=O)C1CCC2(CC1)OC(=O)c1ccccc12)C1CCN(C2CCCC2)C1
InChIInChI=1S/C24H32N2O3/c1-25(19-12-15-26(16-19)18-6-2-3-7-18)22(27)17-10-13-24(14-11-17)21-9-5-4-8-20(21)23(28)29-24/h4-5,8-9,17-19H,2-3,6-7,10-16H2,1H3
InChIKeyQOPIMOSUCNUWHK-UHFFFAOYSA-N
XLogP3.72
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopentylpyrrolidin-3-yl)-N-methyl-3-oxospiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide?
The IUPAC name of N-(1-cyclopentylpyrrolidin-3-yl)-N-methyl-3-oxospiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide (CID 11509488) is N-(1-cyclopentylpyrrolidin-3-yl)-N-methyl-3-oxospiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide.
What is the SMILES notation for N-(1-cyclopentylpyrrolidin-3-yl)-N-methyl-3-oxospiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide?
The canonical SMILES for N-(1-cyclopentylpyrrolidin-3-yl)-N-methyl-3-oxospiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide is CN(C(=O)C1CCC2(CC1)OC(=O)c1ccccc12)C1CCN(C2CCCC2)C1.
What is the InChIKey of N-(1-cyclopentylpyrrolidin-3-yl)-N-methyl-3-oxospiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide?
The InChIKey is QOPIMOSUCNUWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O3/c1-25(19-12-15-26(16-19)18-6-2-3-7-18)22(27)17-10-13-24(14-11-17)21-9-5-4-8-20(21)23(28)29-24/h4-5,8-9,17-19H,2-3,6-7,10-16H2,1H3.
What are the key properties of N-(1-cyclopentylpyrrolidin-3-yl)-N-methyl-3-oxospiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide?
N-(1-cyclopentylpyrrolidin-3-yl)-N-methyl-3-oxospiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide has a molecular weight of 396.53 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopentylpyrrolidin-3-yl)-N-methyl-3-oxospiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide is sourced from PubChem (CID 11509488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).