2-(1-benzofuran-4-yl)-N-methyl-N-[(5S,7R,8S)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide

C24H32N2O3 — CID 22860071

IUPAC2-(1-benzofuran-4-yl)-N-methyl-N-[(5S,7R,8S)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide
SMILESCN(C(=O)Cc1cccc2occc12)[C@H]1CC[C@]2(CCCO2)C[C@H]1N1CCCC1
InChIInChI=1S/C24H32N2O3/c1-25(23(27)16-18-6-4-7-22-19(18)9-15-28-22)20-8-11-24(10-5-14-29-24)17-21(20)26-12-2-3-13-26/h4,6-7,9,15,20-21H,2-3,5,8,10-14,16-17H2,1H3/t20-,21+,24+/m0/s1
InChIKeyJMBYBVLCYODBJQ-YZUZCNPQSA-N
MW396.53 g/mol
LogP4.00
Rot. Bonds4

About 2-(1-benzofuran-4-yl)-N-methyl-N-[(5S,7R,8S)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide

2-(1-benzofuran-4-yl)-N-methyl-N-[(5S,7R,8S)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide (PubChem CID 22860071) has the molecular formula C24H32N2O3 and a molecular weight of 396.53 g/mol. Its IUPAC name is 2-(1-benzofuran-4-yl)-N-methyl-N-[(5S,7R,8S)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide.

Molecular Properties

Compound Name2-(1-benzofuran-4-yl)-N-methyl-N-[(5S,7R,8S)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide
PubChem CID22860071
Molecular FormulaC24H32N2O3
Molecular Weight396.53 g/mol
Exact Mass396.24
IUPAC Name2-(1-benzofuran-4-yl)-N-methyl-N-[(5S,7R,8S)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide
SMILESCN(C(=O)Cc1cccc2occc12)[C@H]1CC[C@]2(CCCO2)C[C@H]1N1CCCC1
InChIInChI=1S/C24H32N2O3/c1-25(23(27)16-18-6-4-7-22-19(18)9-15-28-22)20-8-11-24(10-5-14-29-24)17-21(20)26-12-2-3-13-26/h4,6-7,9,15,20-21H,2-3,5,8,10-14,16-17H2,1H3/t20-,21+,24+/m0/s1
InChIKeyJMBYBVLCYODBJQ-YZUZCNPQSA-N
XLogP4.00
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-4-yl)-N-methyl-N-[(5S,7R,8S)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide?
The IUPAC name of 2-(1-benzofuran-4-yl)-N-methyl-N-[(5S,7R,8S)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide (CID 22860071) is 2-(1-benzofuran-4-yl)-N-methyl-N-[(5S,7R,8S)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide.
What is the SMILES notation for 2-(1-benzofuran-4-yl)-N-methyl-N-[(5S,7R,8S)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide?
The canonical SMILES for 2-(1-benzofuran-4-yl)-N-methyl-N-[(5S,7R,8S)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide is CN(C(=O)Cc1cccc2occc12)[C@H]1CC[C@]2(CCCO2)C[C@H]1N1CCCC1.
What is the InChIKey of 2-(1-benzofuran-4-yl)-N-methyl-N-[(5S,7R,8S)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide?
The InChIKey is JMBYBVLCYODBJQ-YZUZCNPQSA-N. The full InChI is InChI=1S/C24H32N2O3/c1-25(23(27)16-18-6-4-7-22-19(18)9-15-28-22)20-8-11-24(10-5-14-29-24)17-21(20)26-12-2-3-13-26/h4,6-7,9,15,20-21H,2-3,5,8,10-14,16-17H2,1H3/t20-,21+,24+/m0/s1.
What are the key properties of 2-(1-benzofuran-4-yl)-N-methyl-N-[(5S,7R,8S)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide?
2-(1-benzofuran-4-yl)-N-methyl-N-[(5S,7R,8S)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide has a molecular weight of 396.53 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-4-yl)-N-methyl-N-[(5S,7R,8S)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide is sourced from PubChem (CID 22860071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).