2-(2,3-dihydro-1-benzofuran-4-yl)-N-methyl-N-[(5S,7S,8S)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide

C24H34N2O3 — CID 14986779

IUPAC2-(2,3-dihydro-1-benzofuran-4-yl)-N-methyl-N-[(5S,7S,8S)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide
SMILESCN(C(=O)Cc1cccc2c1CCO2)[C@H]1CC[C@]2(CCCO2)C[C@@H]1N1CCCC1
InChIInChI=1S/C24H34N2O3/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/h4,6-7,20-21H,2-3,5,8-17H2,1H3/t20-,21-,24+/m0/s1
InChIKeyQYXDJRHVCONCLL-AWRGLXIESA-N
MW398.55 g/mol
LogP3.19
Rot. Bonds4

About 2-(2,3-dihydro-1-benzofuran-4-yl)-N-methyl-N-[(5S,7S,8S)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide

2-(2,3-dihydro-1-benzofuran-4-yl)-N-methyl-N-[(5S,7S,8S)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide (PubChem CID 14986779) has the molecular formula C24H34N2O3 and a molecular weight of 398.55 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-4-yl)-N-methyl-N-[(5S,7S,8S)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-4-yl)-N-methyl-N-[(5S,7S,8S)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide
PubChem CID14986779
Molecular FormulaC24H34N2O3
Molecular Weight398.55 g/mol
Exact Mass398.26
IUPAC Name2-(2,3-dihydro-1-benzofuran-4-yl)-N-methyl-N-[(5S,7S,8S)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide
SMILESCN(C(=O)Cc1cccc2c1CCO2)[C@H]1CC[C@]2(CCCO2)C[C@@H]1N1CCCC1
InChIInChI=1S/C24H34N2O3/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/h4,6-7,20-21H,2-3,5,8-17H2,1H3/t20-,21-,24+/m0/s1
InChIKeyQYXDJRHVCONCLL-AWRGLXIESA-N
XLogP3.19
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(2,3-dihydro-1-benzofuran-4-yl)-N-methyl-N-[(5S,7S,8S)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-4-yl)-N-methyl-N-[(5S,7S,8S)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-4-yl)-N-methyl-N-[(5S,7S,8S)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide (CID 14986779) is 2-(2,3-dihydro-1-benzofuran-4-yl)-N-methyl-N-[(5S,7S,8S)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-4-yl)-N-methyl-N-[(5S,7S,8S)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-4-yl)-N-methyl-N-[(5S,7S,8S)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide is CN(C(=O)Cc1cccc2c1CCO2)[C@H]1CC[C@]2(CCCO2)C[C@@H]1N1CCCC1.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-4-yl)-N-methyl-N-[(5S,7S,8S)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide?
The InChIKey is QYXDJRHVCONCLL-AWRGLXIESA-N. The full InChI is InChI=1S/C24H34N2O3/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/h4,6-7,20-21H,2-3,5,8-17H2,1H3/t20-,21-,24+/m0/s1.
What are the key properties of 2-(2,3-dihydro-1-benzofuran-4-yl)-N-methyl-N-[(5S,7S,8S)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide?
2-(2,3-dihydro-1-benzofuran-4-yl)-N-methyl-N-[(5S,7S,8S)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide has a molecular weight of 398.55 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzofuran-4-yl)-N-methyl-N-[(5S,7S,8S)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide is sourced from PubChem (CID 14986779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).