3-[(3S)-3-methyl-2,5-dioxo-3-phenylpyrrolidin-1-yl]-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)propanamide

C19H23N5O3 — CID 95860275

IUPAC3-[(3S)-3-methyl-2,5-dioxo-3-phenylpyrrolidin-1-yl]-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)propanamide
SMILESCC(C)c1nc(NC(=O)CCN2C(=O)C[C@@](C)(c3ccccc3)C2=O)n[nH]1
InChIInChI=1S/C19H23N5O3/c1-12(2)16-21-18(23-22-16)20-14(25)9-10-24-15(26)11-19(3,17(24)27)13-7-5-4-6-8-13/h4-8,12H,9-11H2,1-3H3,(H2,20,21,22,23,25)/t19-/m0/s1
InChIKeyIXFRGIAMYBDFGU-IBGZPJMESA-N
MW369.43 g/mol
LogP1.97
Rot. Bonds6

About 3-[(3S)-3-methyl-2,5-dioxo-3-phenylpyrrolidin-1-yl]-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)propanamide

3-[(3S)-3-methyl-2,5-dioxo-3-phenylpyrrolidin-1-yl]-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)propanamide (PubChem CID 95860275) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is 3-[(3S)-3-methyl-2,5-dioxo-3-phenylpyrrolidin-1-yl]-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)propanamide.

Molecular Properties

Compound Name3-[(3S)-3-methyl-2,5-dioxo-3-phenylpyrrolidin-1-yl]-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)propanamide
PubChem CID95860275
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC Name3-[(3S)-3-methyl-2,5-dioxo-3-phenylpyrrolidin-1-yl]-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)propanamide
SMILESCC(C)c1nc(NC(=O)CCN2C(=O)C[C@@](C)(c3ccccc3)C2=O)n[nH]1
InChIInChI=1S/C19H23N5O3/c1-12(2)16-21-18(23-22-16)20-14(25)9-10-24-15(26)11-19(3,17(24)27)13-7-5-4-6-8-13/h4-8,12H,9-11H2,1-3H3,(H2,20,21,22,23,25)/t19-/m0/s1
InChIKeyIXFRGIAMYBDFGU-IBGZPJMESA-N
XLogP1.97
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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3-phenyl-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-3-pyrrol-1-ylpropanamide
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CID 128962924
N-carbamoyl-3-[(3S)-3-methyl-3-(4-methylphenyl)-2,5-dioxopyrrolidin-1-yl]propanamide
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3-methyl-1-[3-(methylamino)propyl]-3-phenylpyrrolidine-2,5-dione
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1-(2-hydroxy-3-propan-2-yloxypropyl)-3-methyl-3-phenylpyrrolidine-2,5-dione
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Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-3-methyl-2,5-dioxo-3-phenylpyrrolidin-1-yl]-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)propanamide?
The IUPAC name of 3-[(3S)-3-methyl-2,5-dioxo-3-phenylpyrrolidin-1-yl]-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)propanamide (CID 95860275) is 3-[(3S)-3-methyl-2,5-dioxo-3-phenylpyrrolidin-1-yl]-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)propanamide.
What is the SMILES notation for 3-[(3S)-3-methyl-2,5-dioxo-3-phenylpyrrolidin-1-yl]-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)propanamide?
The canonical SMILES for 3-[(3S)-3-methyl-2,5-dioxo-3-phenylpyrrolidin-1-yl]-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)propanamide is CC(C)c1nc(NC(=O)CCN2C(=O)C[C@@](C)(c3ccccc3)C2=O)n[nH]1.
What is the InChIKey of 3-[(3S)-3-methyl-2,5-dioxo-3-phenylpyrrolidin-1-yl]-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)propanamide?
The InChIKey is IXFRGIAMYBDFGU-IBGZPJMESA-N. The full InChI is InChI=1S/C19H23N5O3/c1-12(2)16-21-18(23-22-16)20-14(25)9-10-24-15(26)11-19(3,17(24)27)13-7-5-4-6-8-13/h4-8,12H,9-11H2,1-3H3,(H2,20,21,22,23,25)/t19-/m0/s1.
What are the key properties of 3-[(3S)-3-methyl-2,5-dioxo-3-phenylpyrrolidin-1-yl]-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)propanamide?
3-[(3S)-3-methyl-2,5-dioxo-3-phenylpyrrolidin-1-yl]-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)propanamide has a molecular weight of 369.43 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-3-methyl-2,5-dioxo-3-phenylpyrrolidin-1-yl]-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)propanamide is sourced from PubChem (CID 95860275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).