2-(2-acetamidophenyl)-N-[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]-2-oxoacetamide

C24H25N3O6 — CID 4530316

IUPAC2-(2-acetamidophenyl)-N-[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]-2-oxoacetamide
SMILESCC(=O)Nc1ccccc1C(=O)C(=O)Nc1cccc(C(=O)N2CCC3(CC2)OCCO3)c1
InChIInChI=1S/C24H25N3O6/c1-16(28)25-20-8-3-2-7-19(20)21(29)22(30)26-18-6-4-5-17(15-18)23(31)27-11-9-24(10-12-27)32-13-14-33-24/h2-8,15H,9-14H2,1H3,(H,25,28)(H,26,30)
InChIKeyPNJRXPPRFIYWBX-UHFFFAOYSA-N
MW451.48 g/mol
LogP2.45
Rot. Bonds5

About 2-(2-acetamidophenyl)-N-[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]-2-oxoacetamide

2-(2-acetamidophenyl)-N-[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]-2-oxoacetamide (PubChem CID 4530316) has the molecular formula C24H25N3O6 and a molecular weight of 451.48 g/mol. Its IUPAC name is 2-(2-acetamidophenyl)-N-[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]-2-oxoacetamide.

Molecular Properties

Compound Name2-(2-acetamidophenyl)-N-[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]-2-oxoacetamide
PubChem CID4530316
Molecular FormulaC24H25N3O6
Molecular Weight451.48 g/mol
Exact Mass451.17
IUPAC Name2-(2-acetamidophenyl)-N-[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]-2-oxoacetamide
SMILESCC(=O)Nc1ccccc1C(=O)C(=O)Nc1cccc(C(=O)N2CCC3(CC2)OCCO3)c1
InChIInChI=1S/C24H25N3O6/c1-16(28)25-20-8-3-2-7-19(20)21(29)22(30)26-18-6-4-5-17(15-18)23(31)27-11-9-24(10-12-27)32-13-14-33-24/h2-8,15H,9-14H2,1H3,(H,25,28)(H,26,30)
InChIKeyPNJRXPPRFIYWBX-UHFFFAOYSA-N
XLogP2.45
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.48
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-acetamidophenyl)-N-[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]-2-oxoacetamide?
The IUPAC name of 2-(2-acetamidophenyl)-N-[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]-2-oxoacetamide (CID 4530316) is 2-(2-acetamidophenyl)-N-[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]-2-oxoacetamide.
What is the SMILES notation for 2-(2-acetamidophenyl)-N-[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]-2-oxoacetamide?
The canonical SMILES for 2-(2-acetamidophenyl)-N-[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]-2-oxoacetamide is CC(=O)Nc1ccccc1C(=O)C(=O)Nc1cccc(C(=O)N2CCC3(CC2)OCCO3)c1.
What is the InChIKey of 2-(2-acetamidophenyl)-N-[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]-2-oxoacetamide?
The InChIKey is PNJRXPPRFIYWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O6/c1-16(28)25-20-8-3-2-7-19(20)21(29)22(30)26-18-6-4-5-17(15-18)23(31)27-11-9-24(10-12-27)32-13-14-33-24/h2-8,15H,9-14H2,1H3,(H,25,28)(H,26,30).
What are the key properties of 2-(2-acetamidophenyl)-N-[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]-2-oxoacetamide?
2-(2-acetamidophenyl)-N-[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]-2-oxoacetamide has a molecular weight of 451.48 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetamidophenyl)-N-[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]-2-oxoacetamide is sourced from PubChem (CID 4530316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).