N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-[2-(4-methylphenyl)pyrrolidin-1-yl]acetamide

C22H23N3O3 — CID 55551245

IUPACN-(2-methyl-1,3-dioxoisoindol-5-yl)-2-[2-(4-methylphenyl)pyrrolidin-1-yl]acetamide
SMILESCc1ccc(C2CCCN2CC(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)cc1
InChIInChI=1S/C22H23N3O3/c1-14-5-7-15(8-6-14)19-4-3-11-25(19)13-20(26)23-16-9-10-17-18(12-16)22(28)24(2)21(17)27/h5-10,12,19H,3-4,11,13H2,1-2H3,(H,23,26)
InChIKeyCPLGHOGBILKYMW-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.00
Rot. Bonds4

About N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-[2-(4-methylphenyl)pyrrolidin-1-yl]acetamide

N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-[2-(4-methylphenyl)pyrrolidin-1-yl]acetamide (PubChem CID 55551245) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-[2-(4-methylphenyl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-methyl-1,3-dioxoisoindol-5-yl)-2-[2-(4-methylphenyl)pyrrolidin-1-yl]acetamide
PubChem CID55551245
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC NameN-(2-methyl-1,3-dioxoisoindol-5-yl)-2-[2-(4-methylphenyl)pyrrolidin-1-yl]acetamide
SMILESCc1ccc(C2CCCN2CC(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)cc1
InChIInChI=1S/C22H23N3O3/c1-14-5-7-15(8-6-14)19-4-3-11-25(19)13-20(26)23-16-9-10-17-18(12-16)22(28)24(2)21(17)27/h5-10,12,19H,3-4,11,13H2,1-2H3,(H,23,26)
InChIKeyCPLGHOGBILKYMW-UHFFFAOYSA-N
XLogP3.00
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.00
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

2-(4-aminopiperidin-1-yl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
CID 119908193
2-[3-(methylamino)piperidin-1-yl]-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide;hydrochloride
CID 119919466
2-(cyclopropylamino)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
CID 60661183
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide;hydrochloride
CID 120775993
N-phenyl-2-(2-phenylpyrrolidin-1-yl)acetamide
CID 18137699
3-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]-3-oxopropanoic acid
CID 62230900
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-(4-methylphenyl)acetamide
CID 73144060
3-(cyclopropylamino)-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide
CID 60841920
N-(4-methylphenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide
CID 9446431
2-[(2S)-2-phenylpyrrolidin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 41456404
N-(4-methylphenyl)-2-[(2S)-2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]acetamide
CID 95149005
2-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-N-(3,5-dimethylphenyl)acetamide
CID 9444879

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-[2-(4-methylphenyl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-[2-(4-methylphenyl)pyrrolidin-1-yl]acetamide (CID 55551245) is N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-[2-(4-methylphenyl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-[2-(4-methylphenyl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-[2-(4-methylphenyl)pyrrolidin-1-yl]acetamide is Cc1ccc(C2CCCN2CC(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)cc1.
What is the InChIKey of N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-[2-(4-methylphenyl)pyrrolidin-1-yl]acetamide?
The InChIKey is CPLGHOGBILKYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-14-5-7-15(8-6-14)19-4-3-11-25(19)13-20(26)23-16-9-10-17-18(12-16)22(28)24(2)21(17)27/h5-10,12,19H,3-4,11,13H2,1-2H3,(H,23,26).
What are the key properties of N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-[2-(4-methylphenyl)pyrrolidin-1-yl]acetamide?
N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-[2-(4-methylphenyl)pyrrolidin-1-yl]acetamide has a molecular weight of 377.44 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-[2-(4-methylphenyl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 55551245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).