N-(1-adamantylmethyl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide

C17H24N2O3 — CID 4876764

IUPACN-(1-adamantylmethyl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide
SMILESO=C(CN1C(=O)CCC1=O)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H24N2O3/c20-14(9-19-15(21)1-2-16(19)22)18-10-17-6-11-3-12(7-17)5-13(4-11)8-17/h11-13H,1-10H2,(H,18,20)
InChIKeyOUYXTUSKLWTIAK-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.47
Rot. Bonds4

About N-(1-adamantylmethyl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide

N-(1-adamantylmethyl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide (PubChem CID 4876764) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide
PubChem CID4876764
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC NameN-(1-adamantylmethyl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide
SMILESO=C(CN1C(=O)CCC1=O)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H24N2O3/c20-14(9-19-15(21)1-2-16(19)22)18-10-17-6-11-3-12(7-17)5-13(4-11)8-17/h11-13H,1-10H2,(H,18,20)
InChIKeyOUYXTUSKLWTIAK-UHFFFAOYSA-N
XLogP1.47
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.47
H-Bond Donors ≤ 51
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-(1-adamantylmethyl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide?
The IUPAC name of N-(1-adamantylmethyl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide (CID 4876764) is N-(1-adamantylmethyl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-(1-adamantylmethyl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide?
The canonical SMILES for N-(1-adamantylmethyl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide is O=C(CN1C(=O)CCC1=O)NCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantylmethyl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide?
The InChIKey is OUYXTUSKLWTIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c20-14(9-19-15(21)1-2-16(19)22)18-10-17-6-11-3-12(7-17)5-13(4-11)8-17/h11-13H,1-10H2,(H,18,20).
What are the key properties of N-(1-adamantylmethyl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide?
N-(1-adamantylmethyl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide has a molecular weight of 304.39 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide is sourced from PubChem (CID 4876764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).