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

C22H30Cl2N2O2 — CID 5620

IUPAC2-(3,4-dichlorophenyl)-N-methyl-N-(7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl)acetamide
SMILESCN(C(=O)Cc1ccc(Cl)c(Cl)c1)C1CCC2(CCCO2)CC1N1CCCC1
InChIInChI=1S/C22H30Cl2N2O2/c1-25(21(27)14-16-5-6-17(23)18(24)13-16)19-7-9-22(8-4-12-28-22)15-20(19)26-10-2-3-11-26/h5-6,13,19-20H,2-4,7-12,14-15H2,1H3
InChIKeyNYKCGQQJNVPOLU-UHFFFAOYSA-N
MW425.40 g/mol
LogP4.56
Rot. Bonds4

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

2-(3,4-dichlorophenyl)-N-methyl-N-(7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl)acetamide (PubChem CID 5620) 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-(7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl)acetamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-methyl-N-(7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl)acetamide
PubChem CID5620
Molecular FormulaC22H30Cl2N2O2
Molecular Weight425.40 g/mol
Exact Mass424.17
IUPAC Name2-(3,4-dichlorophenyl)-N-methyl-N-(7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl)acetamide
SMILESCN(C(=O)Cc1ccc(Cl)c(Cl)c1)C1CCC2(CCCO2)CC1N1CCCC1
InChIInChI=1S/C22H30Cl2N2O2/c1-25(21(27)14-16-5-6-17(23)18(24)13-16)19-7-9-22(8-4-12-28-22)15-20(19)26-10-2-3-11-26/h5-6,13,19-20H,2-4,7-12,14-15H2,1H3
InChIKeyNYKCGQQJNVPOLU-UHFFFAOYSA-N
XLogP4.56
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 ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-methyl-N-(7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl)acetamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-methyl-N-(7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl)acetamide (CID 5620) is 2-(3,4-dichlorophenyl)-N-methyl-N-(7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl)acetamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-methyl-N-(7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl)acetamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-methyl-N-(7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl)acetamide is CN(C(=O)Cc1ccc(Cl)c(Cl)c1)C1CCC2(CCCO2)CC1N1CCCC1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-methyl-N-(7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl)acetamide?
The InChIKey is NYKCGQQJNVPOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30Cl2N2O2/c1-25(21(27)14-16-5-6-17(23)18(24)13-16)19-7-9-22(8-4-12-28-22)15-20(19)26-10-2-3-11-26/h5-6,13,19-20H,2-4,7-12,14-15H2,1H3.
What are the key properties of 2-(3,4-dichlorophenyl)-N-methyl-N-(7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl)acetamide?
2-(3,4-dichlorophenyl)-N-methyl-N-(7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl)acetamide has a molecular weight of 425.40 g/mol, XLogP of 4.56, 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-(7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl)acetamide is sourced from PubChem (CID 5620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).