2-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

C23H32N4O3 — CID 86952049

IUPAC2-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCc1cc(C)cc(C2CCCN2CC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)c1
InChIInChI=1S/C23H32N4O3/c1-15-6-8-23(9-7-15)21(29)27(22(30)24-23)25-20(28)14-26-10-4-5-19(26)18-12-16(2)11-17(3)13-18/h11-13,15,19H,4-10,14H2,1-3H3,(H,24,30)(H,25,28)
InChIKeySEWFJJQZRWJIQB-UHFFFAOYSA-N
MW412.53 g/mol
LogP2.97
Rot. Bonds4

About 2-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

2-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (PubChem CID 86952049) has the molecular formula C23H32N4O3 and a molecular weight of 412.53 g/mol. Its IUPAC name is 2-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.

Molecular Properties

Compound Name2-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
PubChem CID86952049
Molecular FormulaC23H32N4O3
Molecular Weight412.53 g/mol
Exact Mass412.25
IUPAC Name2-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCc1cc(C)cc(C2CCCN2CC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)c1
InChIInChI=1S/C23H32N4O3/c1-15-6-8-23(9-7-15)21(29)27(22(30)24-23)25-20(28)14-26-10-4-5-19(26)18-12-16(2)11-17(3)13-18/h11-13,15,19H,4-10,14H2,1-3H3,(H,24,30)(H,25,28)
InChIKeySEWFJJQZRWJIQB-UHFFFAOYSA-N
XLogP2.97
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The IUPAC name of 2-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (CID 86952049) is 2-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.
What is the SMILES notation for 2-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The canonical SMILES for 2-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is Cc1cc(C)cc(C2CCCN2CC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)c1.
What is the InChIKey of 2-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The InChIKey is SEWFJJQZRWJIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O3/c1-15-6-8-23(9-7-15)21(29)27(22(30)24-23)25-20(28)14-26-10-4-5-19(26)18-12-16(2)11-17(3)13-18/h11-13,15,19H,4-10,14H2,1-3H3,(H,24,30)(H,25,28).
What are the key properties of 2-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
2-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide has a molecular weight of 412.53 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is sourced from PubChem (CID 86952049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).