N-[2-(1-adamantyl)ethyl]-N-[(3R)-1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide

C26H34N2O3 — CID 7288984

IUPACN-[2-(1-adamantyl)ethyl]-N-[(3R)-1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide
SMILESCC(=O)N(CCC12CC3CC(CC(C3)C1)C2)[C@@H]1CC(=O)N(c2ccc(C)cc2C)C1=O
InChIInChI=1S/C26H34N2O3/c1-16-4-5-22(17(2)8-16)28-24(30)12-23(25(28)31)27(18(3)29)7-6-26-13-19-9-20(14-26)11-21(10-19)15-26/h4-5,8,19-21,23H,6-7,9-15H2,1-3H3/t19?,20?,21?,23-,26?/m1/s1
InChIKeyVELNTVLIYXVBNB-OJNXCIKNSA-N
MW422.57 g/mol
LogP4.39
Rot. Bonds5

About N-[2-(1-adamantyl)ethyl]-N-[(3R)-1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide

N-[2-(1-adamantyl)ethyl]-N-[(3R)-1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide (PubChem CID 7288984) has the molecular formula C26H34N2O3 and a molecular weight of 422.57 g/mol. Its IUPAC name is N-[2-(1-adamantyl)ethyl]-N-[(3R)-1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-(1-adamantyl)ethyl]-N-[(3R)-1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide
PubChem CID7288984
Molecular FormulaC26H34N2O3
Molecular Weight422.57 g/mol
Exact Mass422.26
IUPAC NameN-[2-(1-adamantyl)ethyl]-N-[(3R)-1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide
SMILESCC(=O)N(CCC12CC3CC(CC(C3)C1)C2)[C@@H]1CC(=O)N(c2ccc(C)cc2C)C1=O
InChIInChI=1S/C26H34N2O3/c1-16-4-5-22(17(2)8-16)28-24(30)12-23(25(28)31)27(18(3)29)7-6-26-13-19-9-20(14-26)11-21(10-19)15-26/h4-5,8,19-21,23H,6-7,9-15H2,1-3H3/t19?,20?,21?,23-,26?/m1/s1
InChIKeyVELNTVLIYXVBNB-OJNXCIKNSA-N
XLogP4.39
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-adamantyl)ethyl]-N-[(3R)-1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide?
The IUPAC name of N-[2-(1-adamantyl)ethyl]-N-[(3R)-1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide (CID 7288984) is N-[2-(1-adamantyl)ethyl]-N-[(3R)-1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[2-(1-adamantyl)ethyl]-N-[(3R)-1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[2-(1-adamantyl)ethyl]-N-[(3R)-1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide is CC(=O)N(CCC12CC3CC(CC(C3)C1)C2)[C@@H]1CC(=O)N(c2ccc(C)cc2C)C1=O.
What is the InChIKey of N-[2-(1-adamantyl)ethyl]-N-[(3R)-1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide?
The InChIKey is VELNTVLIYXVBNB-OJNXCIKNSA-N. The full InChI is InChI=1S/C26H34N2O3/c1-16-4-5-22(17(2)8-16)28-24(30)12-23(25(28)31)27(18(3)29)7-6-26-13-19-9-20(14-26)11-21(10-19)15-26/h4-5,8,19-21,23H,6-7,9-15H2,1-3H3/t19?,20?,21?,23-,26?/m1/s1.
What are the key properties of N-[2-(1-adamantyl)ethyl]-N-[(3R)-1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide?
N-[2-(1-adamantyl)ethyl]-N-[(3R)-1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide has a molecular weight of 422.57 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-adamantyl)ethyl]-N-[(3R)-1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide is sourced from PubChem (CID 7288984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).