2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxo-N-(2-propan-2-ylphenyl)acetamide

C18H24N2O4 — CID 108985990

IUPAC2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxo-N-(2-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccccc1NC(=O)C(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C18H24N2O4/c1-13(2)14-5-3-4-6-15(14)19-16(21)17(22)20-9-7-18(8-10-20)23-11-12-24-18/h3-6,13H,7-12H2,1-2H3,(H,19,21)
InChIKeyIIFXBHJRVBPPEJ-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.11
Rot. Bonds2

About 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxo-N-(2-propan-2-ylphenyl)acetamide

2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxo-N-(2-propan-2-ylphenyl)acetamide (PubChem CID 108985990) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxo-N-(2-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxo-N-(2-propan-2-ylphenyl)acetamide
PubChem CID108985990
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxo-N-(2-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccccc1NC(=O)C(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C18H24N2O4/c1-13(2)14-5-3-4-6-15(14)19-16(21)17(22)20-9-7-18(8-10-20)23-11-12-24-18/h3-6,13H,7-12H2,1-2H3,(H,19,21)
InChIKeyIIFXBHJRVBPPEJ-UHFFFAOYSA-N
XLogP2.11
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-propan-2-ylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 108989738
1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-propan-2-ylphenyl)cyclopropane-1-carboxamide
CID 108978512
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109215694
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methyl-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109331809
N-(2-propan-2-ylphenyl)-2,5-dihydropyrrole-1-carboxamide
CID 3784138
N-(3,4-dimethylphenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoacetamide
CID 44902691
N-(2-propan-2-ylphenyl)morpholine-4-carboxamide
CID 3684146
N-benzyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoacetamide
CID 44901827
N-(3-bromophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoacetamide
CID 108986017
2-methyl-N-(2-propan-2-ylphenyl)prop-2-enamide
CID 86076819
N-(2-fluorophenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 2242080
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoacetamide
CID 108986006

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxo-N-(2-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxo-N-(2-propan-2-ylphenyl)acetamide (CID 108985990) is 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxo-N-(2-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxo-N-(2-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxo-N-(2-propan-2-ylphenyl)acetamide is CC(C)c1ccccc1NC(=O)C(=O)N1CCC2(CC1)OCCO2.
What is the InChIKey of 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxo-N-(2-propan-2-ylphenyl)acetamide?
The InChIKey is IIFXBHJRVBPPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-13(2)14-5-3-4-6-15(14)19-16(21)17(22)20-9-7-18(8-10-20)23-11-12-24-18/h3-6,13H,7-12H2,1-2H3,(H,19,21).
What are the key properties of 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxo-N-(2-propan-2-ylphenyl)acetamide?
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxo-N-(2-propan-2-ylphenyl)acetamide has a molecular weight of 332.40 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxo-N-(2-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 108985990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).