N-benzyl-2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-cyclopropylacetamide

C24H33N3O3 — CID 34457472

IUPACN-benzyl-2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-cyclopropylacetamide
SMILESCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)N(Cc1ccccc1)C1CC1)C2=O
InChIInChI=1S/C24H33N3O3/c1-23(2,3)18-11-13-24(14-12-18)21(29)27(22(30)25-24)16-20(28)26(19-9-10-19)15-17-7-5-4-6-8-17/h4-8,18-19H,9-16H2,1-3H3,(H,25,30)
InChIKeyHBMMHOUBEQDXTL-UHFFFAOYSA-N
MW411.55 g/mol
LogP3.70
Rot. Bonds5

About N-benzyl-2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-cyclopropylacetamide

N-benzyl-2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-cyclopropylacetamide (PubChem CID 34457472) has the molecular formula C24H33N3O3 and a molecular weight of 411.55 g/mol. Its IUPAC name is N-benzyl-2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-cyclopropylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-cyclopropylacetamide
PubChem CID34457472
Molecular FormulaC24H33N3O3
Molecular Weight411.55 g/mol
Exact Mass411.25
IUPAC NameN-benzyl-2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-cyclopropylacetamide
SMILESCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)N(Cc1ccccc1)C1CC1)C2=O
InChIInChI=1S/C24H33N3O3/c1-23(2,3)18-11-13-24(14-12-18)21(29)27(22(30)25-24)16-20(28)26(19-9-10-19)15-17-7-5-4-6-8-17/h4-8,18-19H,9-16H2,1-3H3,(H,25,30)
InChIKeyHBMMHOUBEQDXTL-UHFFFAOYSA-N
XLogP3.70
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-benzyl-2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-cyclopropylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-cyclopropylacetamide?
The IUPAC name of N-benzyl-2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-cyclopropylacetamide (CID 34457472) is N-benzyl-2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-cyclopropylacetamide.
What is the SMILES notation for N-benzyl-2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-cyclopropylacetamide?
The canonical SMILES for N-benzyl-2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-cyclopropylacetamide is CC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)N(Cc1ccccc1)C1CC1)C2=O.
What is the InChIKey of N-benzyl-2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-cyclopropylacetamide?
The InChIKey is HBMMHOUBEQDXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O3/c1-23(2,3)18-11-13-24(14-12-18)21(29)27(22(30)25-24)16-20(28)26(19-9-10-19)15-17-7-5-4-6-8-17/h4-8,18-19H,9-16H2,1-3H3,(H,25,30).
What are the key properties of N-benzyl-2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-cyclopropylacetamide?
N-benzyl-2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-cyclopropylacetamide has a molecular weight of 411.55 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-cyclopropylacetamide is sourced from PubChem (CID 34457472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).