2-(3,5-dichlorophenoxy)-N-(7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl)propanamide

C22H30Cl2N2O3 — CID 57221404

IUPAC2-(3,5-dichlorophenoxy)-N-(7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl)propanamide
SMILESCC(Oc1cc(Cl)cc(Cl)c1)C(=O)NC1CCC2(CCCO2)CC1N1CCCC1
InChIInChI=1S/C22H30Cl2N2O3/c1-15(29-18-12-16(23)11-17(24)13-18)21(27)25-19-5-7-22(6-4-10-28-22)14-20(19)26-8-2-3-9-26/h11-13,15,19-20H,2-10,14H2,1H3,(H,25,27)
InChIKeyAJRKYCIUGFZCPQ-UHFFFAOYSA-N
MW441.40 g/mol
LogP4.44
Rot. Bonds5

About 2-(3,5-dichlorophenoxy)-N-(7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl)propanamide

2-(3,5-dichlorophenoxy)-N-(7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl)propanamide (PubChem CID 57221404) has the molecular formula C22H30Cl2N2O3 and a molecular weight of 441.40 g/mol. Its IUPAC name is 2-(3,5-dichlorophenoxy)-N-(7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl)propanamide.

Molecular Properties

Compound Name2-(3,5-dichlorophenoxy)-N-(7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl)propanamide
PubChem CID57221404
Molecular FormulaC22H30Cl2N2O3
Molecular Weight441.40 g/mol
Exact Mass440.16
IUPAC Name2-(3,5-dichlorophenoxy)-N-(7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl)propanamide
SMILESCC(Oc1cc(Cl)cc(Cl)c1)C(=O)NC1CCC2(CCCO2)CC1N1CCCC1
InChIInChI=1S/C22H30Cl2N2O3/c1-15(29-18-12-16(23)11-17(24)13-18)21(27)25-19-5-7-22(6-4-10-28-22)14-20(19)26-8-2-3-9-26/h11-13,15,19-20H,2-10,14H2,1H3,(H,25,27)
InChIKeyAJRKYCIUGFZCPQ-UHFFFAOYSA-N
XLogP4.44
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.40
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichlorophenoxy)-N-(7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl)propanamide?
The IUPAC name of 2-(3,5-dichlorophenoxy)-N-(7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl)propanamide (CID 57221404) is 2-(3,5-dichlorophenoxy)-N-(7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl)propanamide.
What is the SMILES notation for 2-(3,5-dichlorophenoxy)-N-(7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl)propanamide?
The canonical SMILES for 2-(3,5-dichlorophenoxy)-N-(7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl)propanamide is CC(Oc1cc(Cl)cc(Cl)c1)C(=O)NC1CCC2(CCCO2)CC1N1CCCC1.
What is the InChIKey of 2-(3,5-dichlorophenoxy)-N-(7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl)propanamide?
The InChIKey is AJRKYCIUGFZCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30Cl2N2O3/c1-15(29-18-12-16(23)11-17(24)13-18)21(27)25-19-5-7-22(6-4-10-28-22)14-20(19)26-8-2-3-9-26/h11-13,15,19-20H,2-10,14H2,1H3,(H,25,27).
What are the key properties of 2-(3,5-dichlorophenoxy)-N-(7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl)propanamide?
2-(3,5-dichlorophenoxy)-N-(7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl)propanamide has a molecular weight of 441.40 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichlorophenoxy)-N-(7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl)propanamide is sourced from PubChem (CID 57221404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).