N-(2-adamantyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide

C22H26N2O3 — CID 86906743

IUPACN-(2-adamantyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
SMILESO=C(NC1C2CC3CC(C2)CC1C3)c1ccc(CN2C(=O)CCC2=O)cc1
InChIInChI=1S/C22H26N2O3/c25-19-5-6-20(26)24(19)12-13-1-3-16(4-2-13)22(27)23-21-17-8-14-7-15(10-17)11-18(21)9-14/h1-4,14-15,17-18,21H,5-12H2,(H,23,27)
InChIKeyOMRJBBKXMWIHMD-UHFFFAOYSA-N
MW366.46 g/mol
LogP2.89
Rot. Bonds4

About N-(2-adamantyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide

N-(2-adamantyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide (PubChem CID 86906743) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-(2-adamantyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(2-adamantyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
PubChem CID86906743
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC NameN-(2-adamantyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
SMILESO=C(NC1C2CC3CC(C2)CC1C3)c1ccc(CN2C(=O)CCC2=O)cc1
InChIInChI=1S/C22H26N2O3/c25-19-5-6-20(26)24(19)12-13-1-3-16(4-2-13)22(27)23-21-17-8-14-7-15(10-17)11-18(21)9-14/h1-4,14-15,17-18,21H,5-12H2,(H,23,27)
InChIKeyOMRJBBKXMWIHMD-UHFFFAOYSA-N
XLogP2.89
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 119602599
N-(2-adamantyl)-4-phenylbenzamide
CID 3608392
N-[2-(aminomethyl)cyclohexyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide;hydrochloride
CID 119610634
N-(2-adamantyl)-4-formamidobenzamide
CID 168651287
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[3-(methylamino)propyl]benzamide
CID 119431505
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[2-(4-hydroxyphenyl)ethyl]benzamide
CID 71890893
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(3-methylbutyl)benzamide
CID 51195030
N-(2,5-dibromophenyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 39166499
N-(2-adamantyl)-4-[4-[4-(2-adamantylcarbamoyl)phenoxy]-2,3,5,6-tetrafluorophenoxy]benzamide
CID 4244949
N-[(3S,5S)-1-azatricyclo[3.3.1.13,7]decan-4-yl]-4-chlorobenzamide;hydrochloride
CID 141172267
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]benzamide
CID 26008402
N-[(3,5-difluorophenyl)methyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 55596850

Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide?
The IUPAC name of N-(2-adamantyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide (CID 86906743) is N-(2-adamantyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide.
What is the SMILES notation for N-(2-adamantyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide?
The canonical SMILES for N-(2-adamantyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide is O=C(NC1C2CC3CC(C2)CC1C3)c1ccc(CN2C(=O)CCC2=O)cc1.
What is the InChIKey of N-(2-adamantyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide?
The InChIKey is OMRJBBKXMWIHMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c25-19-5-6-20(26)24(19)12-13-1-3-16(4-2-13)22(27)23-21-17-8-14-7-15(10-17)11-18(21)9-14/h1-4,14-15,17-18,21H,5-12H2,(H,23,27).
What are the key properties of N-(2-adamantyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide?
N-(2-adamantyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide has a molecular weight of 366.46 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide is sourced from PubChem (CID 86906743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).