9-benzyl-2,4-dioxo-N-(2-propan-2-ylphenyl)-1,9-diazaspiro[4.5]decane-3-carboxamide

C25H29N3O3 — CID 90728701

IUPAC9-benzyl-2,4-dioxo-N-(2-propan-2-ylphenyl)-1,9-diazaspiro[4.5]decane-3-carboxamide
SMILESCC(C)c1ccccc1NC(=O)C1C(=O)NC2(CCCN(Cc3ccccc3)C2)C1=O
InChIInChI=1S/C25H29N3O3/c1-17(2)19-11-6-7-12-20(19)26-23(30)21-22(29)25(27-24(21)31)13-8-14-28(16-25)15-18-9-4-3-5-10-18/h3-7,9-12,17,21H,8,13-16H2,1-2H3,(H,26,30)(H,27,31)
InChIKeyNJZYZDAGHWFEIW-UHFFFAOYSA-N
MW419.53 g/mol
LogP3.10
Rot. Bonds5

About 9-benzyl-2,4-dioxo-N-(2-propan-2-ylphenyl)-1,9-diazaspiro[4.5]decane-3-carboxamide

9-benzyl-2,4-dioxo-N-(2-propan-2-ylphenyl)-1,9-diazaspiro[4.5]decane-3-carboxamide (PubChem CID 90728701) has the molecular formula C25H29N3O3 and a molecular weight of 419.53 g/mol. Its IUPAC name is 9-benzyl-2,4-dioxo-N-(2-propan-2-ylphenyl)-1,9-diazaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound Name9-benzyl-2,4-dioxo-N-(2-propan-2-ylphenyl)-1,9-diazaspiro[4.5]decane-3-carboxamide
PubChem CID90728701
Molecular FormulaC25H29N3O3
Molecular Weight419.53 g/mol
Exact Mass419.22
IUPAC Name9-benzyl-2,4-dioxo-N-(2-propan-2-ylphenyl)-1,9-diazaspiro[4.5]decane-3-carboxamide
SMILESCC(C)c1ccccc1NC(=O)C1C(=O)NC2(CCCN(Cc3ccccc3)C2)C1=O
InChIInChI=1S/C25H29N3O3/c1-17(2)19-11-6-7-12-20(19)26-23(30)21-22(29)25(27-24(21)31)13-8-14-28(16-25)15-18-9-4-3-5-10-18/h3-7,9-12,17,21H,8,13-16H2,1-2H3,(H,26,30)(H,27,31)
InChIKeyNJZYZDAGHWFEIW-UHFFFAOYSA-N
XLogP3.10
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-benzyl-2,4-dioxo-N-(2-propan-2-ylphenyl)-1,9-diazaspiro[4.5]decane-3-carboxamide?
The IUPAC name of 9-benzyl-2,4-dioxo-N-(2-propan-2-ylphenyl)-1,9-diazaspiro[4.5]decane-3-carboxamide (CID 90728701) is 9-benzyl-2,4-dioxo-N-(2-propan-2-ylphenyl)-1,9-diazaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for 9-benzyl-2,4-dioxo-N-(2-propan-2-ylphenyl)-1,9-diazaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for 9-benzyl-2,4-dioxo-N-(2-propan-2-ylphenyl)-1,9-diazaspiro[4.5]decane-3-carboxamide is CC(C)c1ccccc1NC(=O)C1C(=O)NC2(CCCN(Cc3ccccc3)C2)C1=O.
What is the InChIKey of 9-benzyl-2,4-dioxo-N-(2-propan-2-ylphenyl)-1,9-diazaspiro[4.5]decane-3-carboxamide?
The InChIKey is NJZYZDAGHWFEIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3/c1-17(2)19-11-6-7-12-20(19)26-23(30)21-22(29)25(27-24(21)31)13-8-14-28(16-25)15-18-9-4-3-5-10-18/h3-7,9-12,17,21H,8,13-16H2,1-2H3,(H,26,30)(H,27,31).
What are the key properties of 9-benzyl-2,4-dioxo-N-(2-propan-2-ylphenyl)-1,9-diazaspiro[4.5]decane-3-carboxamide?
9-benzyl-2,4-dioxo-N-(2-propan-2-ylphenyl)-1,9-diazaspiro[4.5]decane-3-carboxamide has a molecular weight of 419.53 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzyl-2,4-dioxo-N-(2-propan-2-ylphenyl)-1,9-diazaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 90728701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).