3-[(1,3-dioxoisoindol-2-yl)methyl]-N-[2-(oxolan-2-yl)ethyl]benzamide

C22H22N2O4 — CID 55554837

IUPAC3-[(1,3-dioxoisoindol-2-yl)methyl]-N-[2-(oxolan-2-yl)ethyl]benzamide
SMILESO=C(NCCC1CCCO1)c1cccc(CN2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C22H22N2O4/c25-20(23-11-10-17-7-4-12-28-17)16-6-3-5-15(13-16)14-24-21(26)18-8-1-2-9-19(18)22(24)27/h1-3,5-6,8-9,13,17H,4,7,10-12,14H2,(H,23,25)
InChIKeyMKFPPQKXXRRRLI-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.78
Rot. Bonds6

About 3-[(1,3-dioxoisoindol-2-yl)methyl]-N-[2-(oxolan-2-yl)ethyl]benzamide

3-[(1,3-dioxoisoindol-2-yl)methyl]-N-[2-(oxolan-2-yl)ethyl]benzamide (PubChem CID 55554837) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is 3-[(1,3-dioxoisoindol-2-yl)methyl]-N-[2-(oxolan-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-[(1,3-dioxoisoindol-2-yl)methyl]-N-[2-(oxolan-2-yl)ethyl]benzamide
PubChem CID55554837
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC Name3-[(1,3-dioxoisoindol-2-yl)methyl]-N-[2-(oxolan-2-yl)ethyl]benzamide
SMILESO=C(NCCC1CCCO1)c1cccc(CN2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C22H22N2O4/c25-20(23-11-10-17-7-4-12-28-17)16-6-3-5-15(13-16)14-24-21(26)18-8-1-2-9-19(18)22(24)27/h1-3,5-6,8-9,13,17H,4,7,10-12,14H2,(H,23,25)
InChIKeyMKFPPQKXXRRRLI-UHFFFAOYSA-N
XLogP2.78
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 54915842
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[2-[(2R)-oxolan-2-yl]ethyl]benzamide
CID 30895093
methyl 3-[2-(oxolan-2-yl)ethylcarbamoyl]benzoate
CID 51086480
N-[2-(4-chlorophenyl)ethyl]-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide
CID 9217155
3-[(1,3-dioxoisoindol-2-yl)methyl]-N-[2-[di(propan-2-yl)amino]ethyl]benzamide
CID 46650963
1-benzyl-N-[2-[(2R)-oxolan-2-yl]ethyl]pyrrole-2-carboxamide
CID 95934905
5-[(3-fluorophenyl)methyl]-6-oxo-N-(oxolan-2-ylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide
CID 3451889
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide
CID 119458289
3-acetamido-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 110745062
3-(dimethylamino)-N-[2-[(2R)-oxolan-2-yl]ethyl]benzamide
CID 94022695
N-[2-(2-methylphenyl)ethyl]-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide
CID 55361052
3-iodo-N-[2-(oxan-2-yl)ethyl]benzamide
CID 103993198

Frequently Asked Questions

What is the IUPAC name of 3-[(1,3-dioxoisoindol-2-yl)methyl]-N-[2-(oxolan-2-yl)ethyl]benzamide?
The IUPAC name of 3-[(1,3-dioxoisoindol-2-yl)methyl]-N-[2-(oxolan-2-yl)ethyl]benzamide (CID 55554837) is 3-[(1,3-dioxoisoindol-2-yl)methyl]-N-[2-(oxolan-2-yl)ethyl]benzamide.
What is the SMILES notation for 3-[(1,3-dioxoisoindol-2-yl)methyl]-N-[2-(oxolan-2-yl)ethyl]benzamide?
The canonical SMILES for 3-[(1,3-dioxoisoindol-2-yl)methyl]-N-[2-(oxolan-2-yl)ethyl]benzamide is O=C(NCCC1CCCO1)c1cccc(CN2C(=O)c3ccccc3C2=O)c1.
What is the InChIKey of 3-[(1,3-dioxoisoindol-2-yl)methyl]-N-[2-(oxolan-2-yl)ethyl]benzamide?
The InChIKey is MKFPPQKXXRRRLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4/c25-20(23-11-10-17-7-4-12-28-17)16-6-3-5-15(13-16)14-24-21(26)18-8-1-2-9-19(18)22(24)27/h1-3,5-6,8-9,13,17H,4,7,10-12,14H2,(H,23,25).
What are the key properties of 3-[(1,3-dioxoisoindol-2-yl)methyl]-N-[2-(oxolan-2-yl)ethyl]benzamide?
3-[(1,3-dioxoisoindol-2-yl)methyl]-N-[2-(oxolan-2-yl)ethyl]benzamide has a molecular weight of 378.43 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,3-dioxoisoindol-2-yl)methyl]-N-[2-(oxolan-2-yl)ethyl]benzamide is sourced from PubChem (CID 55554837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).