3-(1,3-dioxoisoindol-2-yl)-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]propanamide

C21H27N3O4 — CID 110351376

IUPAC3-(1,3-dioxoisoindol-2-yl)-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]propanamide
SMILESCC(C)C[C@H](NC(=O)CCN1C(=O)c2ccccc2C1=O)C(=O)N1CCCC1
InChIInChI=1S/C21H27N3O4/c1-14(2)13-17(21(28)23-10-5-6-11-23)22-18(25)9-12-24-19(26)15-7-3-4-8-16(15)20(24)27/h3-4,7-8,14,17H,5-6,9-13H2,1-2H3,(H,22,25)/t17-/m0/s1
InChIKeyOJKQXDWQPJTWAW-KRWDZBQOSA-N
MW385.46 g/mol
LogP1.83
Rot. Bonds7

About 3-(1,3-dioxoisoindol-2-yl)-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]propanamide

3-(1,3-dioxoisoindol-2-yl)-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]propanamide (PubChem CID 110351376) has the molecular formula C21H27N3O4 and a molecular weight of 385.46 g/mol. Its IUPAC name is 3-(1,3-dioxoisoindol-2-yl)-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]propanamide.

Molecular Properties

Compound Name3-(1,3-dioxoisoindol-2-yl)-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]propanamide
PubChem CID110351376
Molecular FormulaC21H27N3O4
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC Name3-(1,3-dioxoisoindol-2-yl)-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]propanamide
SMILESCC(C)C[C@H](NC(=O)CCN1C(=O)c2ccccc2C1=O)C(=O)N1CCCC1
InChIInChI=1S/C21H27N3O4/c1-14(2)13-17(21(28)23-10-5-6-11-23)22-18(25)9-12-24-19(26)15-7-3-4-8-16(15)20(24)27/h3-4,7-8,14,17H,5-6,9-13H2,1-2H3,(H,22,25)/t17-/m0/s1
InChIKeyOJKQXDWQPJTWAW-KRWDZBQOSA-N
XLogP1.83
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 51.83
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

N-[(2S)-4-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]-3-phenylpropanamide
CID 110351597
N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]-2-phenylacetamide
CID 110351358
methyl 2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]-4-methylpentanoate
CID 18120560
N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]-2-phenoxyacetamide
CID 110351364
3-(1,3-dioxoisoindol-2-yl)-N-[1-(4-phenylphenyl)ethyl]propanamide
CID 42896543
3-(1,3-dioxoisoindol-2-yl)-N-[(1S)-1-(4-phenylphenyl)ethyl]propanamide
CID 27782319
4-methyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzamide
CID 110351340
2-[(2S)-4-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]isoindole-1,3-dione
CID 740431
3-(1,3-dioxoisoindol-2-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 2939362
4-(1,3-dioxoisoindol-2-yl)-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]butanamide
CID 110347790
3-(5-amino-1,3-dioxoisoindol-2-yl)-N-propan-2-ylpropanamide
CID 62623411
2-[[3-(1,3-dioxoisoindol-2-yl)propanoylamino]methyl]-4-methylpentanoic acid
CID 119252720

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]propanamide?
The IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]propanamide (CID 110351376) is 3-(1,3-dioxoisoindol-2-yl)-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]propanamide.
What is the SMILES notation for 3-(1,3-dioxoisoindol-2-yl)-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]propanamide?
The canonical SMILES for 3-(1,3-dioxoisoindol-2-yl)-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]propanamide is CC(C)C[C@H](NC(=O)CCN1C(=O)c2ccccc2C1=O)C(=O)N1CCCC1.
What is the InChIKey of 3-(1,3-dioxoisoindol-2-yl)-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]propanamide?
The InChIKey is OJKQXDWQPJTWAW-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H27N3O4/c1-14(2)13-17(21(28)23-10-5-6-11-23)22-18(25)9-12-24-19(26)15-7-3-4-8-16(15)20(24)27/h3-4,7-8,14,17H,5-6,9-13H2,1-2H3,(H,22,25)/t17-/m0/s1.
What are the key properties of 3-(1,3-dioxoisoindol-2-yl)-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]propanamide?
3-(1,3-dioxoisoindol-2-yl)-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]propanamide has a molecular weight of 385.46 g/mol, XLogP of 1.83, 7 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)-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]propanamide is sourced from PubChem (CID 110351376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).