N-(2,2-dimethoxyethyl)-N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]adamantane-1-carboxamide

C28H38N2O5 — CID 23916670

IUPACN-(2,2-dimethoxyethyl)-N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]adamantane-1-carboxamide
SMILESCOC(CN(C(=O)C12CC3CC(CC(C3)C1)C2)C1CC(=O)N(c2ccc(C(C)C)cc2)C1=O)OC
InChIInChI=1S/C28H38N2O5/c1-17(2)21-5-7-22(8-6-21)30-24(31)12-23(26(30)32)29(16-25(34-3)35-4)27(33)28-13-18-9-19(14-28)11-20(10-18)15-28/h5-8,17-20,23,25H,9-16H2,1-4H3
InChIKeyPZNFMQLYDRCMGU-UHFFFAOYSA-N
MW482.62 g/mol
LogP4.11
Rot. Bonds8

About N-(2,2-dimethoxyethyl)-N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]adamantane-1-carboxamide

N-(2,2-dimethoxyethyl)-N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]adamantane-1-carboxamide (PubChem CID 23916670) has the molecular formula C28H38N2O5 and a molecular weight of 482.62 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]adamantane-1-carboxamide
PubChem CID23916670
Molecular FormulaC28H38N2O5
Molecular Weight482.62 g/mol
Exact Mass482.28
IUPAC NameN-(2,2-dimethoxyethyl)-N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]adamantane-1-carboxamide
SMILESCOC(CN(C(=O)C12CC3CC(CC(C3)C1)C2)C1CC(=O)N(c2ccc(C(C)C)cc2)C1=O)OC
InChIInChI=1S/C28H38N2O5/c1-17(2)21-5-7-22(8-6-21)30-24(31)12-23(26(30)32)29(16-25(34-3)35-4)27(33)28-13-18-9-19(14-28)11-20(10-18)15-28/h5-8,17-20,23,25H,9-16H2,1-4H3
InChIKeyPZNFMQLYDRCMGU-UHFFFAOYSA-N
XLogP4.11
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.62
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-(2,2-dimethoxyethyl)-N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-2-fluorobenzamide
CID 23972517
N-butan-2-yl-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]adamantane-1-carboxamide
CID 23944632
N-[(4-fluorophenyl)methyl]-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]adamantane-1-carboxamide
CID 23774596
N-(2,2-dimethoxyethyl)-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 23803703
N-butan-2-yl-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)adamantane-1-carboxamide
CID 23972673
N-[(4-fluorophenyl)methyl]-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]adamantane-1-carboxamide
CID 23774594
N-cyclopropyl-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]adamantane-1-carboxamide
CID 23774586
N-tert-butyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]adamantane-1-carboxamide
CID 23972675
methyl 4-[3-[cyclopropanecarbonyl(2,2-dimethoxyethyl)amino]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 23830850
N-(2,2-dimethoxyethyl)-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-carboxamide
CID 23915257
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-phenylpyrrolidin-3-yl)-4-fluorobenzamide
CID 23832321

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]adamantane-1-carboxamide?
The IUPAC name of N-(2,2-dimethoxyethyl)-N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]adamantane-1-carboxamide (CID 23916670) is N-(2,2-dimethoxyethyl)-N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]adamantane-1-carboxamide.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]adamantane-1-carboxamide?
The canonical SMILES for N-(2,2-dimethoxyethyl)-N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]adamantane-1-carboxamide is COC(CN(C(=O)C12CC3CC(CC(C3)C1)C2)C1CC(=O)N(c2ccc(C(C)C)cc2)C1=O)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)-N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]adamantane-1-carboxamide?
The InChIKey is PZNFMQLYDRCMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N2O5/c1-17(2)21-5-7-22(8-6-21)30-24(31)12-23(26(30)32)29(16-25(34-3)35-4)27(33)28-13-18-9-19(14-28)11-20(10-18)15-28/h5-8,17-20,23,25H,9-16H2,1-4H3.
What are the key properties of N-(2,2-dimethoxyethyl)-N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]adamantane-1-carboxamide?
N-(2,2-dimethoxyethyl)-N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]adamantane-1-carboxamide has a molecular weight of 482.62 g/mol, XLogP of 4.11, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]adamantane-1-carboxamide is sourced from PubChem (CID 23916670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).