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

C25H36N4O3 — CID 46419003

IUPACN-(1-benzylpyrrolidin-3-yl)-2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)NC1CCN(Cc3ccccc3)C1)C2=O
InChIInChI=1S/C25H36N4O3/c1-24(2,3)19-9-12-25(13-10-19)22(31)29(23(32)27-25)17-21(30)26-20-11-14-28(16-20)15-18-7-5-4-6-8-18/h4-8,19-20H,9-17H2,1-3H3,(H,26,30)(H,27,32)
InChIKeyKOLVLKPBRVIKIE-UHFFFAOYSA-N
MW440.59 g/mol
LogP2.90
Rot. Bonds5

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

N-(1-benzylpyrrolidin-3-yl)-2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (PubChem CID 46419003) has the molecular formula C25H36N4O3 and a molecular weight of 440.59 g/mol. Its IUPAC name is N-(1-benzylpyrrolidin-3-yl)-2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.

Molecular Properties

Compound NameN-(1-benzylpyrrolidin-3-yl)-2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
PubChem CID46419003
Molecular FormulaC25H36N4O3
Molecular Weight440.59 g/mol
Exact Mass440.28
IUPAC NameN-(1-benzylpyrrolidin-3-yl)-2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)NC1CCN(Cc3ccccc3)C1)C2=O
InChIInChI=1S/C25H36N4O3/c1-24(2,3)19-9-12-25(13-10-19)22(31)29(23(32)27-25)17-21(30)26-20-11-14-28(16-20)15-18-7-5-4-6-8-18/h4-8,19-20H,9-17H2,1-3H3,(H,26,30)(H,27,32)
InChIKeyKOLVLKPBRVIKIE-UHFFFAOYSA-N
XLogP2.90
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.59
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

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

Launch Full Analysis

Related Compounds

2-(azepan-1-yl)-N-[(3S)-1-benzylpyrrolidin-3-yl]acetamide
CID 131913098
N-benzyl-1-[2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperidine-4-carboxamide
CID 33100935
N-[(3S)-1-benzylpyrrolidin-3-yl]-2,2-dimethylpropanamide
CID 94785030
N-benzyl-2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-cyclopropylacetamide
CID 34457472
2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(3-methylpiperidin-4-yl)acetamide
CID 120557707
2-amino-N-[(3R)-1-benzylpyrrolidin-3-yl]acetamide
CID 93027730
2-(8-benzyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)acetic acid
CID 42065010
2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 36714303
N-(1-benzylpyrrolidin-3-yl)-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
CID 18156454
tert-butyl N-[(3R)-1-benzylpyrrolidin-3-yl]carbamate
CID 10286119
N-[(3R)-1-benzylpyrrolidin-3-yl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 9488591
2-amino-N-(1-benzylpyrrolidin-3-yl)-2-methylpentanamide
CID 60847713

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrrolidin-3-yl)-2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The IUPAC name of N-(1-benzylpyrrolidin-3-yl)-2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (CID 46419003) is N-(1-benzylpyrrolidin-3-yl)-2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.
What is the SMILES notation for N-(1-benzylpyrrolidin-3-yl)-2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The canonical SMILES for N-(1-benzylpyrrolidin-3-yl)-2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is CC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)NC1CCN(Cc3ccccc3)C1)C2=O.
What is the InChIKey of N-(1-benzylpyrrolidin-3-yl)-2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The InChIKey is KOLVLKPBRVIKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N4O3/c1-24(2,3)19-9-12-25(13-10-19)22(31)29(23(32)27-25)17-21(30)26-20-11-14-28(16-20)15-18-7-5-4-6-8-18/h4-8,19-20H,9-17H2,1-3H3,(H,26,30)(H,27,32).
What are the key properties of N-(1-benzylpyrrolidin-3-yl)-2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
N-(1-benzylpyrrolidin-3-yl)-2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide has a molecular weight of 440.59 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrrolidin-3-yl)-2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is sourced from PubChem (CID 46419003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).