N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-2-(1-oxoisoquinolin-2-yl)acetamide

C20H23N3O5 — CID 4197881

IUPACN-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-2-(1-oxoisoquinolin-2-yl)acetamide
SMILESO=C(Cn1ccc2ccccc2c1=O)NCC(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C20H23N3O5/c24-17(14-23-8-5-15-3-1-2-4-16(15)19(23)26)21-13-18(25)22-9-6-20(7-10-22)27-11-12-28-20/h1-5,8H,6-7,9-14H2,(H,21,24)
InChIKeyIMIINWMSICYQIT-UHFFFAOYSA-N
MW385.42 g/mol
LogP0.48
Rot. Bonds4

About N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-2-(1-oxoisoquinolin-2-yl)acetamide

N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-2-(1-oxoisoquinolin-2-yl)acetamide (PubChem CID 4197881) has the molecular formula C20H23N3O5 and a molecular weight of 385.42 g/mol. Its IUPAC name is N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-2-(1-oxoisoquinolin-2-yl)acetamide.

Molecular Properties

Compound NameN-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-2-(1-oxoisoquinolin-2-yl)acetamide
PubChem CID4197881
Molecular FormulaC20H23N3O5
Molecular Weight385.42 g/mol
Exact Mass385.16
IUPAC NameN-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-2-(1-oxoisoquinolin-2-yl)acetamide
SMILESO=C(Cn1ccc2ccccc2c1=O)NCC(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C20H23N3O5/c24-17(14-23-8-5-15-3-1-2-4-16(15)19(23)26)21-13-18(25)22-9-6-20(7-10-22)27-11-12-28-20/h1-5,8H,6-7,9-14H2,(H,21,24)
InChIKeyIMIINWMSICYQIT-UHFFFAOYSA-N
XLogP0.48
TPSA89.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-2-(1-oxoisoquinolin-2-yl)acetamide?
The IUPAC name of N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-2-(1-oxoisoquinolin-2-yl)acetamide (CID 4197881) is N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-2-(1-oxoisoquinolin-2-yl)acetamide.
What is the SMILES notation for N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-2-(1-oxoisoquinolin-2-yl)acetamide?
The canonical SMILES for N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-2-(1-oxoisoquinolin-2-yl)acetamide is O=C(Cn1ccc2ccccc2c1=O)NCC(=O)N1CCC2(CC1)OCCO2.
What is the InChIKey of N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-2-(1-oxoisoquinolin-2-yl)acetamide?
The InChIKey is IMIINWMSICYQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O5/c24-17(14-23-8-5-15-3-1-2-4-16(15)19(23)26)21-13-18(25)22-9-6-20(7-10-22)27-11-12-28-20/h1-5,8H,6-7,9-14H2,(H,21,24).
What are the key properties of N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-2-(1-oxoisoquinolin-2-yl)acetamide?
N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-2-(1-oxoisoquinolin-2-yl)acetamide has a molecular weight of 385.42 g/mol, XLogP of 0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-2-(1-oxoisoquinolin-2-yl)acetamide is sourced from PubChem (CID 4197881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).