N-butan-2-yl-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)adamantane-1-carboxamide

C25H32N2O3 — CID 23972673

IUPACN-butan-2-yl-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)adamantane-1-carboxamide
SMILESCCC(C)N(C(=O)C12CC3CC(CC(C3)C1)C2)C1CC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C25H32N2O3/c1-3-16(2)26(21-12-22(28)27(23(21)29)20-7-5-4-6-8-20)24(30)25-13-17-9-18(14-25)11-19(10-17)15-25/h4-8,16-19,21H,3,9-15H2,1-2H3
InChIKeyCBZUBNWJXUWRDE-UHFFFAOYSA-N
MW408.54 g/mol
LogP4.16
Rot. Bonds5

About N-butan-2-yl-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)adamantane-1-carboxamide

N-butan-2-yl-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)adamantane-1-carboxamide (PubChem CID 23972673) has the molecular formula C25H32N2O3 and a molecular weight of 408.54 g/mol. Its IUPAC name is N-butan-2-yl-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)adamantane-1-carboxamide
PubChem CID23972673
Molecular FormulaC25H32N2O3
Molecular Weight408.54 g/mol
Exact Mass408.24
IUPAC NameN-butan-2-yl-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)adamantane-1-carboxamide
SMILESCCC(C)N(C(=O)C12CC3CC(CC(C3)C1)C2)C1CC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C25H32N2O3/c1-3-16(2)26(21-12-22(28)27(23(21)29)20-7-5-4-6-8-20)24(30)25-13-17-9-18(14-25)11-19(10-17)15-25/h4-8,16-19,21H,3,9-15H2,1-2H3
InChIKeyCBZUBNWJXUWRDE-UHFFFAOYSA-N
XLogP4.16
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.54
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butan-2-yl-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]adamantane-1-carboxamide
CID 23944632
N-[1-(4-carbamoylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(1-phenylethyl)adamantane-1-carboxamide
CID 23944629
N-[4-[3-[acetyl(butan-2-yl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide
CID 23743730
N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-phenylethyl)adamantane-1-carboxamide
CID 23888664
N-(2,2-dimethoxyethyl)-N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]adamantane-1-carboxamide
CID 23916670
N-tert-butyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]adamantane-1-carboxamide
CID 23972675
N-[(4-fluorophenyl)methyl]-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]adamantane-1-carboxamide
CID 23774596
N-butan-2-yl-N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-3-methylbenzamide
CID 23774559
N-cyclopropyl-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]adamantane-1-carboxamide
CID 23774586
N-benzyl-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)acetamide
CID 3710802
N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-N-butan-2-ylthiophene-2-carboxamide
CID 23887189
N-[(4-fluorophenyl)methyl]-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]adamantane-1-carboxamide
CID 23774594

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)adamantane-1-carboxamide?
The IUPAC name of N-butan-2-yl-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)adamantane-1-carboxamide (CID 23972673) is N-butan-2-yl-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)adamantane-1-carboxamide.
What is the SMILES notation for N-butan-2-yl-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)adamantane-1-carboxamide?
The canonical SMILES for N-butan-2-yl-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)adamantane-1-carboxamide is CCC(C)N(C(=O)C12CC3CC(CC(C3)C1)C2)C1CC(=O)N(c2ccccc2)C1=O.
What is the InChIKey of N-butan-2-yl-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)adamantane-1-carboxamide?
The InChIKey is CBZUBNWJXUWRDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O3/c1-3-16(2)26(21-12-22(28)27(23(21)29)20-7-5-4-6-8-20)24(30)25-13-17-9-18(14-25)11-19(10-17)15-25/h4-8,16-19,21H,3,9-15H2,1-2H3.
What are the key properties of N-butan-2-yl-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)adamantane-1-carboxamide?
N-butan-2-yl-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)adamantane-1-carboxamide has a molecular weight of 408.54 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)adamantane-1-carboxamide is sourced from PubChem (CID 23972673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).