N-(1-adamantyl)-2-(3-oxo-1H-isoindol-2-yl)acetamide

C20H24N2O2 — CID 118717388

IUPACN-(1-adamantyl)-2-(3-oxo-1H-isoindol-2-yl)acetamide
SMILESO=C(CN1Cc2ccccc2C1=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H24N2O2/c23-18(12-22-11-16-3-1-2-4-17(16)19(22)24)21-20-8-13-5-14(9-20)7-15(6-13)10-20/h1-4,13-15H,5-12H2,(H,21,23)
InChIKeyKFEAAVDNNHTWHD-UHFFFAOYSA-N
MW324.42 g/mol
LogP2.73
Rot. Bonds3

About N-(1-adamantyl)-2-(3-oxo-1H-isoindol-2-yl)acetamide

N-(1-adamantyl)-2-(3-oxo-1H-isoindol-2-yl)acetamide (PubChem CID 118717388) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is N-(1-adamantyl)-2-(3-oxo-1H-isoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-(3-oxo-1H-isoindol-2-yl)acetamide
PubChem CID118717388
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC NameN-(1-adamantyl)-2-(3-oxo-1H-isoindol-2-yl)acetamide
SMILESO=C(CN1Cc2ccccc2C1=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H24N2O2/c23-18(12-22-11-16-3-1-2-4-17(16)19(22)24)21-20-8-13-5-14(9-20)7-15(6-13)10-20/h1-4,13-15H,5-12H2,(H,21,23)
InChIKeyKFEAAVDNNHTWHD-UHFFFAOYSA-N
XLogP2.73
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-(3-oxo-1H-isoindol-2-yl)acetamide?
The IUPAC name of N-(1-adamantyl)-2-(3-oxo-1H-isoindol-2-yl)acetamide (CID 118717388) is N-(1-adamantyl)-2-(3-oxo-1H-isoindol-2-yl)acetamide.
What is the SMILES notation for N-(1-adamantyl)-2-(3-oxo-1H-isoindol-2-yl)acetamide?
The canonical SMILES for N-(1-adamantyl)-2-(3-oxo-1H-isoindol-2-yl)acetamide is O=C(CN1Cc2ccccc2C1=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)-2-(3-oxo-1H-isoindol-2-yl)acetamide?
The InChIKey is KFEAAVDNNHTWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c23-18(12-22-11-16-3-1-2-4-17(16)19(22)24)21-20-8-13-5-14(9-20)7-15(6-13)10-20/h1-4,13-15H,5-12H2,(H,21,23).
What are the key properties of N-(1-adamantyl)-2-(3-oxo-1H-isoindol-2-yl)acetamide?
N-(1-adamantyl)-2-(3-oxo-1H-isoindol-2-yl)acetamide has a molecular weight of 324.42 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-(3-oxo-1H-isoindol-2-yl)acetamide is sourced from PubChem (CID 118717388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).