1-[2-(4-propan-2-yloxyphenoxy)ethyl]-9-propyl-1,9-diazaspiro[4.5]decan-10-one

C22H34N2O3 — CID 162627526

IUPAC1-[2-(4-propan-2-yloxyphenoxy)ethyl]-9-propyl-1,9-diazaspiro[4.5]decan-10-one
SMILESCCCN1CCCC2(CCCN2CCOc2ccc(OC(C)C)cc2)C1=O
InChIInChI=1S/C22H34N2O3/c1-4-13-23-14-5-11-22(21(23)25)12-6-15-24(22)16-17-26-19-7-9-20(10-8-19)27-18(2)3/h7-10,18H,4-6,11-17H2,1-3H3
InChIKeyJPCZKYFZBZIHET-UHFFFAOYSA-N
MW374.52 g/mol
LogP3.72
Rot. Bonds8

About 1-[2-(4-propan-2-yloxyphenoxy)ethyl]-9-propyl-1,9-diazaspiro[4.5]decan-10-one

1-[2-(4-propan-2-yloxyphenoxy)ethyl]-9-propyl-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 162627526) has the molecular formula C22H34N2O3 and a molecular weight of 374.52 g/mol. Its IUPAC name is 1-[2-(4-propan-2-yloxyphenoxy)ethyl]-9-propyl-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name1-[2-(4-propan-2-yloxyphenoxy)ethyl]-9-propyl-1,9-diazaspiro[4.5]decan-10-one
PubChem CID162627526
Molecular FormulaC22H34N2O3
Molecular Weight374.52 g/mol
Exact Mass374.26
IUPAC Name1-[2-(4-propan-2-yloxyphenoxy)ethyl]-9-propyl-1,9-diazaspiro[4.5]decan-10-one
SMILESCCCN1CCCC2(CCCN2CCOc2ccc(OC(C)C)cc2)C1=O
InChIInChI=1S/C22H34N2O3/c1-4-13-23-14-5-11-22(21(23)25)12-6-15-24(22)16-17-26-19-7-9-20(10-8-19)27-18(2)3/h7-10,18H,4-6,11-17H2,1-3H3
InChIKeyJPCZKYFZBZIHET-UHFFFAOYSA-N
XLogP3.72
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.52
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-propan-2-yloxyphenoxy)ethyl]-9-propyl-1,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of 1-[2-(4-propan-2-yloxyphenoxy)ethyl]-9-propyl-1,9-diazaspiro[4.5]decan-10-one (CID 162627526) is 1-[2-(4-propan-2-yloxyphenoxy)ethyl]-9-propyl-1,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for 1-[2-(4-propan-2-yloxyphenoxy)ethyl]-9-propyl-1,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for 1-[2-(4-propan-2-yloxyphenoxy)ethyl]-9-propyl-1,9-diazaspiro[4.5]decan-10-one is CCCN1CCCC2(CCCN2CCOc2ccc(OC(C)C)cc2)C1=O.
What is the InChIKey of 1-[2-(4-propan-2-yloxyphenoxy)ethyl]-9-propyl-1,9-diazaspiro[4.5]decan-10-one?
The InChIKey is JPCZKYFZBZIHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O3/c1-4-13-23-14-5-11-22(21(23)25)12-6-15-24(22)16-17-26-19-7-9-20(10-8-19)27-18(2)3/h7-10,18H,4-6,11-17H2,1-3H3.
What are the key properties of 1-[2-(4-propan-2-yloxyphenoxy)ethyl]-9-propyl-1,9-diazaspiro[4.5]decan-10-one?
1-[2-(4-propan-2-yloxyphenoxy)ethyl]-9-propyl-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 374.52 g/mol, XLogP of 3.72, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-propan-2-yloxyphenoxy)ethyl]-9-propyl-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 162627526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).