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

C24H33ClN2O3 — CID 45264272

IUPAC2-(1-benzofuran-4-yl)-N-methyl-N-[(7S,8S)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide;hydrochloride
SMILESCN(C(=O)Cc1cccc2occc12)[C@H]1CCC2(CCCO2)C[C@@H]1N1CCCC1.Cl
InChIInChI=1S/C24H32N2O3.ClH/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;1H/t20-,21-,24?;/m0./s1
InChIKeyZVVAINSYJGRDTR-JKWHCSCVSA-N
MW432.99 g/mol
LogP4.42
Rot. Bonds4

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

2-(1-benzofuran-4-yl)-N-methyl-N-[(7S,8S)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide;hydrochloride (PubChem CID 45264272) has the molecular formula C24H33ClN2O3 and a molecular weight of 432.99 g/mol. Its IUPAC name is 2-(1-benzofuran-4-yl)-N-methyl-N-[(7S,8S)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(1-benzofuran-4-yl)-N-methyl-N-[(7S,8S)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide;hydrochloride
PubChem CID45264272
Molecular FormulaC24H33ClN2O3
Molecular Weight432.99 g/mol
Exact Mass432.22
IUPAC Name2-(1-benzofuran-4-yl)-N-methyl-N-[(7S,8S)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide;hydrochloride
SMILESCN(C(=O)Cc1cccc2occc12)[C@H]1CCC2(CCCO2)C[C@@H]1N1CCCC1.Cl
InChIInChI=1S/C24H32N2O3.ClH/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;1H/t20-,21-,24?;/m0./s1
InChIKeyZVVAINSYJGRDTR-JKWHCSCVSA-N
XLogP4.42
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.99
LogP ≤ 54.42
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-[(7S,8S)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide;hydrochloride?
The IUPAC name of 2-(1-benzofuran-4-yl)-N-methyl-N-[(7S,8S)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide;hydrochloride (CID 45264272) is 2-(1-benzofuran-4-yl)-N-methyl-N-[(7S,8S)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide;hydrochloride.
What is the SMILES notation for 2-(1-benzofuran-4-yl)-N-methyl-N-[(7S,8S)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide;hydrochloride?
The canonical SMILES for 2-(1-benzofuran-4-yl)-N-methyl-N-[(7S,8S)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide;hydrochloride is CN(C(=O)Cc1cccc2occc12)[C@H]1CCC2(CCCO2)C[C@@H]1N1CCCC1.Cl.
What is the InChIKey of 2-(1-benzofuran-4-yl)-N-methyl-N-[(7S,8S)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide;hydrochloride?
The InChIKey is ZVVAINSYJGRDTR-JKWHCSCVSA-N. The full InChI is InChI=1S/C24H32N2O3.ClH/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;1H/t20-,21-,24?;/m0./s1.
What are the key properties of 2-(1-benzofuran-4-yl)-N-methyl-N-[(7S,8S)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide;hydrochloride?
2-(1-benzofuran-4-yl)-N-methyl-N-[(7S,8S)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide;hydrochloride has a molecular weight of 432.99 g/mol, XLogP of 4.42, 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-[(7S,8S)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide;hydrochloride is sourced from PubChem (CID 45264272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).