4-(1,3-dioxoisoindol-2-yl)-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]butanamide

C23H23N3O4 — CID 7547526

IUPAC4-(1,3-dioxoisoindol-2-yl)-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]butanamide
SMILESCc1ccc(N2C[C@H](NC(=O)CCCN3C(=O)c4ccccc4C3=O)CC2=O)cc1
InChIInChI=1S/C23H23N3O4/c1-15-8-10-17(11-9-15)26-14-16(13-21(26)28)24-20(27)7-4-12-25-22(29)18-5-2-3-6-19(18)23(25)30/h2-3,5-6,8-11,16H,4,7,12-14H2,1H3,(H,24,27)/t16-/m1/s1
InChIKeyBYVQJRPBAKXNBJ-MRXNPFEDSA-N
MW405.45 g/mol
LogP2.29
Rot. Bonds6

About 4-(1,3-dioxoisoindol-2-yl)-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]butanamide

4-(1,3-dioxoisoindol-2-yl)-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]butanamide (PubChem CID 7547526) has the molecular formula C23H23N3O4 and a molecular weight of 405.45 g/mol. Its IUPAC name is 4-(1,3-dioxoisoindol-2-yl)-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]butanamide.

Molecular Properties

Compound Name4-(1,3-dioxoisoindol-2-yl)-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]butanamide
PubChem CID7547526
Molecular FormulaC23H23N3O4
Molecular Weight405.45 g/mol
Exact Mass405.17
IUPAC Name4-(1,3-dioxoisoindol-2-yl)-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]butanamide
SMILESCc1ccc(N2C[C@H](NC(=O)CCCN3C(=O)c4ccccc4C3=O)CC2=O)cc1
InChIInChI=1S/C23H23N3O4/c1-15-8-10-17(11-9-15)26-14-16(13-21(26)28)24-20(27)7-4-12-25-22(29)18-5-2-3-6-19(18)23(25)30/h2-3,5-6,8-11,16H,4,7,12-14H2,1H3,(H,24,27)/t16-/m1/s1
InChIKeyBYVQJRPBAKXNBJ-MRXNPFEDSA-N
XLogP2.29
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 52.29
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

4-(1,3-dioxoisoindol-2-yl)-N-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]butanamide
CID 7563765
N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 43971264
3-(1,3-dioxoisoindol-2-yl)-N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]propanamide
CID 16822301
N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-4-phenylbutanamide
CID 7255054
3-(1,3-dioxoisoindol-2-yl)-N-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]propanamide
CID 7563558
3-(1,3-dioxoisoindol-2-yl)-N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]propanamide
CID 43971149
N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 7564007
N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 7564006
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 16822370
2-(1,3-dioxoisoindol-2-yl)-N-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]acetamide
CID 43971017
N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]butanamide
CID 7546570
4-methyl-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7547112

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]butanamide?
The IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]butanamide (CID 7547526) is 4-(1,3-dioxoisoindol-2-yl)-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]butanamide.
What is the SMILES notation for 4-(1,3-dioxoisoindol-2-yl)-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]butanamide?
The canonical SMILES for 4-(1,3-dioxoisoindol-2-yl)-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]butanamide is Cc1ccc(N2C[C@H](NC(=O)CCCN3C(=O)c4ccccc4C3=O)CC2=O)cc1.
What is the InChIKey of 4-(1,3-dioxoisoindol-2-yl)-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]butanamide?
The InChIKey is BYVQJRPBAKXNBJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H23N3O4/c1-15-8-10-17(11-9-15)26-14-16(13-21(26)28)24-20(27)7-4-12-25-22(29)18-5-2-3-6-19(18)23(25)30/h2-3,5-6,8-11,16H,4,7,12-14H2,1H3,(H,24,27)/t16-/m1/s1.
What are the key properties of 4-(1,3-dioxoisoindol-2-yl)-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]butanamide?
4-(1,3-dioxoisoindol-2-yl)-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]butanamide has a molecular weight of 405.45 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dioxoisoindol-2-yl)-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]butanamide is sourced from PubChem (CID 7547526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).