4-N-[2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-5-N-(2-methoxyethyl)-1H-imidazole-4,5-dicarboxamide

C23H28ClN5O4 — CID 134538538

IUPAC4-N-[2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-5-N-(2-methoxyethyl)-1H-imidazole-4,5-dicarboxamide
SMILESCOCCNC(=O)c1[nH]cnc1C(=O)NC1CCC2(CC1)CCN(c1cccc(Cl)c1)C2=O
InChIInChI=1S/C23H28ClN5O4/c1-33-12-10-25-20(30)18-19(27-14-26-18)21(31)28-16-5-7-23(8-6-16)9-11-29(22(23)32)17-4-2-3-15(24)13-17/h2-4,13-14,16H,5-12H2,1H3,(H,25,30)(H,26,27)(H,28,31)
InChIKeyKGZRSNWCHOWTDR-UHFFFAOYSA-N
MW473.96 g/mol
LogP2.54
Rot. Bonds7

About 4-N-[2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-5-N-(2-methoxyethyl)-1H-imidazole-4,5-dicarboxamide

4-N-[2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-5-N-(2-methoxyethyl)-1H-imidazole-4,5-dicarboxamide (PubChem CID 134538538) has the molecular formula C23H28ClN5O4 and a molecular weight of 473.96 g/mol. Its IUPAC name is 4-N-[2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-5-N-(2-methoxyethyl)-1H-imidazole-4,5-dicarboxamide.

Molecular Properties

Compound Name4-N-[2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-5-N-(2-methoxyethyl)-1H-imidazole-4,5-dicarboxamide
PubChem CID134538538
Molecular FormulaC23H28ClN5O4
Molecular Weight473.96 g/mol
Exact Mass473.18
IUPAC Name4-N-[2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-5-N-(2-methoxyethyl)-1H-imidazole-4,5-dicarboxamide
SMILESCOCCNC(=O)c1[nH]cnc1C(=O)NC1CCC2(CC1)CCN(c1cccc(Cl)c1)C2=O
InChIInChI=1S/C23H28ClN5O4/c1-33-12-10-25-20(30)18-19(27-14-26-18)21(31)28-16-5-7-23(8-6-16)9-11-29(22(23)32)17-4-2-3-15(24)13-17/h2-4,13-14,16H,5-12H2,1H3,(H,25,30)(H,26,27)(H,28,31)
InChIKeyKGZRSNWCHOWTDR-UHFFFAOYSA-N
XLogP2.54
TPSA116.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.96
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-5-N-(2-methoxyethyl)-1H-imidazole-4,5-dicarboxamide?
The IUPAC name of 4-N-[2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-5-N-(2-methoxyethyl)-1H-imidazole-4,5-dicarboxamide (CID 134538538) is 4-N-[2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-5-N-(2-methoxyethyl)-1H-imidazole-4,5-dicarboxamide.
What is the SMILES notation for 4-N-[2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-5-N-(2-methoxyethyl)-1H-imidazole-4,5-dicarboxamide?
The canonical SMILES for 4-N-[2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-5-N-(2-methoxyethyl)-1H-imidazole-4,5-dicarboxamide is COCCNC(=O)c1[nH]cnc1C(=O)NC1CCC2(CC1)CCN(c1cccc(Cl)c1)C2=O.
What is the InChIKey of 4-N-[2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-5-N-(2-methoxyethyl)-1H-imidazole-4,5-dicarboxamide?
The InChIKey is KGZRSNWCHOWTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN5O4/c1-33-12-10-25-20(30)18-19(27-14-26-18)21(31)28-16-5-7-23(8-6-16)9-11-29(22(23)32)17-4-2-3-15(24)13-17/h2-4,13-14,16H,5-12H2,1H3,(H,25,30)(H,26,27)(H,28,31).
What are the key properties of 4-N-[2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-5-N-(2-methoxyethyl)-1H-imidazole-4,5-dicarboxamide?
4-N-[2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-5-N-(2-methoxyethyl)-1H-imidazole-4,5-dicarboxamide has a molecular weight of 473.96 g/mol, XLogP of 2.54, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-5-N-(2-methoxyethyl)-1H-imidazole-4,5-dicarboxamide is sourced from PubChem (CID 134538538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).