[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl] 4-chloro-1-hydroxynaphthalene-2-carboxylate

C20H20ClNO6 — CID 75404975

IUPAC[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl] 4-chloro-1-hydroxynaphthalene-2-carboxylate
SMILESO=C(OCC(=O)N1CCC2(CC1)OCCO2)c1cc(Cl)c2ccccc2c1O
InChIInChI=1S/C20H20ClNO6/c21-16-11-15(18(24)14-4-2-1-3-13(14)16)19(25)26-12-17(23)22-7-5-20(6-8-22)27-9-10-28-20/h1-4,11,24H,5-10,12H2
InChIKeyWOOCKUPFZLZEBH-UHFFFAOYSA-N
MW405.83 g/mol
LogP2.72
Rot. Bonds3

About [2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl] 4-chloro-1-hydroxynaphthalene-2-carboxylate

[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl] 4-chloro-1-hydroxynaphthalene-2-carboxylate (PubChem CID 75404975) has the molecular formula C20H20ClNO6 and a molecular weight of 405.83 g/mol. Its IUPAC name is [2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl] 4-chloro-1-hydroxynaphthalene-2-carboxylate.

Molecular Properties

Compound Name[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl] 4-chloro-1-hydroxynaphthalene-2-carboxylate
PubChem CID75404975
Molecular FormulaC20H20ClNO6
Molecular Weight405.83 g/mol
Exact Mass405.10
IUPAC Name[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl] 4-chloro-1-hydroxynaphthalene-2-carboxylate
SMILESO=C(OCC(=O)N1CCC2(CC1)OCCO2)c1cc(Cl)c2ccccc2c1O
InChIInChI=1S/C20H20ClNO6/c21-16-11-15(18(24)14-4-2-1-3-13(14)16)19(25)26-12-17(23)22-7-5-20(6-8-22)27-9-10-28-20/h1-4,11,24H,5-10,12H2
InChIKeyWOOCKUPFZLZEBH-UHFFFAOYSA-N
XLogP2.72
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.83
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl] 4-chloro-1-hydroxynaphthalene-2-carboxylate?
The IUPAC name of [2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl] 4-chloro-1-hydroxynaphthalene-2-carboxylate (CID 75404975) is [2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl] 4-chloro-1-hydroxynaphthalene-2-carboxylate.
What is the SMILES notation for [2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl] 4-chloro-1-hydroxynaphthalene-2-carboxylate?
The canonical SMILES for [2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl] 4-chloro-1-hydroxynaphthalene-2-carboxylate is O=C(OCC(=O)N1CCC2(CC1)OCCO2)c1cc(Cl)c2ccccc2c1O.
What is the InChIKey of [2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl] 4-chloro-1-hydroxynaphthalene-2-carboxylate?
The InChIKey is WOOCKUPFZLZEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClNO6/c21-16-11-15(18(24)14-4-2-1-3-13(14)16)19(25)26-12-17(23)22-7-5-20(6-8-22)27-9-10-28-20/h1-4,11,24H,5-10,12H2.
What are the key properties of [2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl] 4-chloro-1-hydroxynaphthalene-2-carboxylate?
[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl] 4-chloro-1-hydroxynaphthalene-2-carboxylate has a molecular weight of 405.83 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl] 4-chloro-1-hydroxynaphthalene-2-carboxylate is sourced from PubChem (CID 75404975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).