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

C22H30Cl2N2O2 — CID 22120695

IUPAC2-(3,4-dichlorophenyl)-N-methyl-N-(8-pyrrolidin-1-yl-2-oxaspiro[4.5]decan-7-yl)acetamide
SMILESCN(C(=O)Cc1ccc(Cl)c(Cl)c1)C1CC2(CCOC2)CCC1N1CCCC1
InChIInChI=1S/C22H30Cl2N2O2/c1-25(21(27)13-16-4-5-17(23)18(24)12-16)20-14-22(8-11-28-15-22)7-6-19(20)26-9-2-3-10-26/h4-5,12,19-20H,2-3,6-11,13-15H2,1H3
InChIKeyPEUZBVPORIDARF-UHFFFAOYSA-N
MW425.40 g/mol
LogP4.42
Rot. Bonds4

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

2-(3,4-dichlorophenyl)-N-methyl-N-(8-pyrrolidin-1-yl-2-oxaspiro[4.5]decan-7-yl)acetamide (PubChem CID 22120695) has the molecular formula C22H30Cl2N2O2 and a molecular weight of 425.40 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-methyl-N-(8-pyrrolidin-1-yl-2-oxaspiro[4.5]decan-7-yl)acetamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-methyl-N-(8-pyrrolidin-1-yl-2-oxaspiro[4.5]decan-7-yl)acetamide
PubChem CID22120695
Molecular FormulaC22H30Cl2N2O2
Molecular Weight425.40 g/mol
Exact Mass424.17
IUPAC Name2-(3,4-dichlorophenyl)-N-methyl-N-(8-pyrrolidin-1-yl-2-oxaspiro[4.5]decan-7-yl)acetamide
SMILESCN(C(=O)Cc1ccc(Cl)c(Cl)c1)C1CC2(CCOC2)CCC1N1CCCC1
InChIInChI=1S/C22H30Cl2N2O2/c1-25(21(27)13-16-4-5-17(23)18(24)12-16)20-14-22(8-11-28-15-22)7-6-19(20)26-9-2-3-10-26/h4-5,12,19-20H,2-3,6-11,13-15H2,1H3
InChIKeyPEUZBVPORIDARF-UHFFFAOYSA-N
XLogP4.42
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.40
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dichlorophenyl)-N-methyl-N-[(5R,7S,8S)-8-pyrrolidin-1-yl-2-oxaspiro[4.5]decan-7-yl]acetamide
CID 70180174
2-(3,4-dichlorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylcyclohexyl)acetamide;hydrochloride
CID 19872097
N-[5,5-bis(ethylsulfanyl)-2-pyrrolidin-1-ylcyclohexyl]-2-(3,4-dichlorophenyl)-N-methylacetamide
CID 22120699
3,4-dichloro-N-methyl-N-[(5R,7S,8S)-7-pyrrolidin-1-yl-2-oxaspiro[4.5]decan-8-yl]benzamide
CID 18602757
2-(3,4-dichlorophenyl)-N-methyl-N-[(5S,7R,8R)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide;methanesulfonic acid
CID 11957718
2-(3,4-dichlorophenyl)-N-(4,4-dimethoxy-2-pyrrolidin-1-ylcyclohexyl)-N-methylacetamide
CID 13375664
2-(3,4-dichlorophenyl)-N-methyl-N-[(7R,8R)-7-pyrrolidin-3-yl-2-oxaspiro[4.5]decan-8-yl]acetamide
CID 70494482
2-(3,4-dichlorophenyl)-N-(5-hydroxyimino-2-pyrrolidin-1-ylcyclohexyl)-N-methylacetamide
CID 73472313
2-(3,4-dichlorophenyl)-N-(4,5-dimethoxy-2-pyrrolidin-1-ylcyclohexyl)-N-methylacetamide
CID 14673811
2-(3,4-dichlorophenyl)-N-methyl-N-[(1S,2R)-3-oxo-2-pyrrolidin-1-ylcyclohexyl]acetamide
CID 22827143
2-(3,4-dichlorophenyl)-N-[(1S,2S)-2-(2,5-dihydropyrrol-1-yl)cyclohexyl]-N-methylacetamide;hydrochloride
CID 54611533
2-(3,4-dichlorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylcyclohexyl)acetamide;ethane;N-methyl-N-(3-methyl-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl)-2-phenylacetamide;N-methyl-2-phenyl-N-(7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl)acetamide
CID 158066971

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-methyl-N-(8-pyrrolidin-1-yl-2-oxaspiro[4.5]decan-7-yl)acetamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-methyl-N-(8-pyrrolidin-1-yl-2-oxaspiro[4.5]decan-7-yl)acetamide (CID 22120695) is 2-(3,4-dichlorophenyl)-N-methyl-N-(8-pyrrolidin-1-yl-2-oxaspiro[4.5]decan-7-yl)acetamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-methyl-N-(8-pyrrolidin-1-yl-2-oxaspiro[4.5]decan-7-yl)acetamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-methyl-N-(8-pyrrolidin-1-yl-2-oxaspiro[4.5]decan-7-yl)acetamide is CN(C(=O)Cc1ccc(Cl)c(Cl)c1)C1CC2(CCOC2)CCC1N1CCCC1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-methyl-N-(8-pyrrolidin-1-yl-2-oxaspiro[4.5]decan-7-yl)acetamide?
The InChIKey is PEUZBVPORIDARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30Cl2N2O2/c1-25(21(27)13-16-4-5-17(23)18(24)12-16)20-14-22(8-11-28-15-22)7-6-19(20)26-9-2-3-10-26/h4-5,12,19-20H,2-3,6-11,13-15H2,1H3.
What are the key properties of 2-(3,4-dichlorophenyl)-N-methyl-N-(8-pyrrolidin-1-yl-2-oxaspiro[4.5]decan-7-yl)acetamide?
2-(3,4-dichlorophenyl)-N-methyl-N-(8-pyrrolidin-1-yl-2-oxaspiro[4.5]decan-7-yl)acetamide has a molecular weight of 425.40 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-methyl-N-(8-pyrrolidin-1-yl-2-oxaspiro[4.5]decan-7-yl)acetamide is sourced from PubChem (CID 22120695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).