2-(1,3-dioxoisoindol-2-yl)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-ylethyl]acetamide

C22H24N3O3+ — CID 8798907

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-ylethyl]acetamide
SMILESO=C(CN1C(=O)c2ccccc2C1=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1
InChIInChI=1S/C22H23N3O3/c26-20(15-25-21(27)17-10-4-5-11-18(17)22(25)28)23-14-19(24-12-6-7-13-24)16-8-2-1-3-9-16/h1-5,8-11,19H,6-7,12-15H2,(H,23,26)/p+1/t19-/m0/s1
InChIKeyVDPWFVQDMMAFOA-IBGZPJMESA-O
MW378.45 g/mol
LogP0.82
Rot. Bonds6

About 2-(1,3-dioxoisoindol-2-yl)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-ylethyl]acetamide

2-(1,3-dioxoisoindol-2-yl)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-ylethyl]acetamide (PubChem CID 8798907) has the molecular formula C22H24N3O3+ and a molecular weight of 378.45 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-ylethyl]acetamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-ylethyl]acetamide
PubChem CID8798907
Molecular FormulaC22H24N3O3+
Molecular Weight378.45 g/mol
Exact Mass378.18
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-ylethyl]acetamide
SMILESO=C(CN1C(=O)c2ccccc2C1=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1
InChIInChI=1S/C22H23N3O3/c26-20(15-25-21(27)17-10-4-5-11-18(17)22(25)28)23-14-19(24-12-6-7-13-24)16-8-2-1-3-9-16/h1-5,8-11,19H,6-7,12-15H2,(H,23,26)/p+1/t19-/m0/s1
InChIKeyVDPWFVQDMMAFOA-IBGZPJMESA-O
XLogP0.82
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(1,3-dioxoisoindol-2-yl)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-ylethyl]propanamide
CID 8798719
3-(1,3-dioxoisoindol-2-yl)-N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ium-1-ylethyl]propanamide
CID 9125353
2-(1,3-dioxoisoindol-2-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-ylethyl]acetamide
CID 9125179
2-(1,3-dioxoisoindol-2-yl)-N-(2-phenylpropyl)acetamide
CID 4828663
2-(1,3-dioxoisoindol-2-yl)-N-(2-methylpropyl)acetamide
CID 2787083
3-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-2-methylpropanoic acid
CID 53215786
2-(1,3-dioxoisoindol-2-yl)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide
CID 8968889
2-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-[(2R)-2-hydroxy-2-phenylethyl]acetamide
CID 7164190
2-(4-bromophenoxy)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-ylethyl]acetamide
CID 8799066
N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 90581492
N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 7496142
2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-N-propan-2-ylacetamide
CID 9017561

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-ylethyl]acetamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-ylethyl]acetamide (CID 8798907) is 2-(1,3-dioxoisoindol-2-yl)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-ylethyl]acetamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-ylethyl]acetamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-ylethyl]acetamide is O=C(CN1C(=O)c2ccccc2C1=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-ylethyl]acetamide?
The InChIKey is VDPWFVQDMMAFOA-IBGZPJMESA-O. The full InChI is InChI=1S/C22H23N3O3/c26-20(15-25-21(27)17-10-4-5-11-18(17)22(25)28)23-14-19(24-12-6-7-13-24)16-8-2-1-3-9-16/h1-5,8-11,19H,6-7,12-15H2,(H,23,26)/p+1/t19-/m0/s1.
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-ylethyl]acetamide?
2-(1,3-dioxoisoindol-2-yl)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-ylethyl]acetamide has a molecular weight of 378.45 g/mol, XLogP of 0.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-ylethyl]acetamide is sourced from PubChem (CID 8798907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).