N-[4-[(3S)-2,5-dioxo-3-[(E)-(1,3,3-trimethylindol-2-ylidene)methyl]pyrrolidin-1-yl]phenyl]acetamide

C24H25N3O3 — CID 1179629

IUPACN-[4-[(3S)-2,5-dioxo-3-[(E)-(1,3,3-trimethylindol-2-ylidene)methyl]pyrrolidin-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N2C(=O)C[C@@H](/C=C3/N(C)c4ccccc4C3(C)C)C2=O)cc1
InChIInChI=1S/C24H25N3O3/c1-15(28)25-17-9-11-18(12-10-17)27-22(29)14-16(23(27)30)13-21-24(2,3)19-7-5-6-8-20(19)26(21)4/h5-13,16H,14H2,1-4H3,(H,25,28)/b21-13+/t16-/m1/s1
InChIKeyKDHHRZAHVXWKLS-WMRWHDLOSA-N
MW403.48 g/mol
LogP3.84
Rot. Bonds3

About N-[4-[(3S)-2,5-dioxo-3-[(E)-(1,3,3-trimethylindol-2-ylidene)methyl]pyrrolidin-1-yl]phenyl]acetamide

N-[4-[(3S)-2,5-dioxo-3-[(E)-(1,3,3-trimethylindol-2-ylidene)methyl]pyrrolidin-1-yl]phenyl]acetamide (PubChem CID 1179629) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is N-[4-[(3S)-2,5-dioxo-3-[(E)-(1,3,3-trimethylindol-2-ylidene)methyl]pyrrolidin-1-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(3S)-2,5-dioxo-3-[(E)-(1,3,3-trimethylindol-2-ylidene)methyl]pyrrolidin-1-yl]phenyl]acetamide
PubChem CID1179629
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC NameN-[4-[(3S)-2,5-dioxo-3-[(E)-(1,3,3-trimethylindol-2-ylidene)methyl]pyrrolidin-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N2C(=O)C[C@@H](/C=C3/N(C)c4ccccc4C3(C)C)C2=O)cc1
InChIInChI=1S/C24H25N3O3/c1-15(28)25-17-9-11-18(12-10-17)27-22(29)14-16(23(27)30)13-21-24(2,3)19-7-5-6-8-20(19)26(21)4/h5-13,16H,14H2,1-4H3,(H,25,28)/b21-13+/t16-/m1/s1
InChIKeyKDHHRZAHVXWKLS-WMRWHDLOSA-N
XLogP3.84
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 53.84
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

[(3Z)-2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl] 4-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 42984636
N-[4-[3-(4-acetamidophenyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide
CID 19630691
N-[4-[(1S,3R,3aS,6aS)-1-ethyl-1'-methyl-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-indole]-5-yl]phenyl]acetamide
CID 26517721
N-[4-[(3S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide
CID 1166710
N-[4-[3-[acetyl(cyclopropyl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide
CID 23743710
N-[3-[2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propoxy]phenyl]acetamide
CID 3936401
N-[4-[(3R)-3-(4-methyl-1,4-diazepan-1-yl)-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide
CID 822092
(2E)-1-(2,3,4,5,6-pentafluorophenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone
CID 2402484
(2Z)-1-(2,3,4,5,6-pentafluorophenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone
CID 2402485
(4E)-3-oxo-4-(1,3,3-trimethylindol-2-ylidene)butanamide
CID 2330522
N-[4-[(3R)-2,5-dioxo-3-piperidin-1-ium-1-ylpyrrolidin-1-yl]phenyl]acetamide
CID 6923629
(3aS,7aS)-2-[(3Z)-2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 98410855

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3S)-2,5-dioxo-3-[(E)-(1,3,3-trimethylindol-2-ylidene)methyl]pyrrolidin-1-yl]phenyl]acetamide?
The IUPAC name of N-[4-[(3S)-2,5-dioxo-3-[(E)-(1,3,3-trimethylindol-2-ylidene)methyl]pyrrolidin-1-yl]phenyl]acetamide (CID 1179629) is N-[4-[(3S)-2,5-dioxo-3-[(E)-(1,3,3-trimethylindol-2-ylidene)methyl]pyrrolidin-1-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(3S)-2,5-dioxo-3-[(E)-(1,3,3-trimethylindol-2-ylidene)methyl]pyrrolidin-1-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[(3S)-2,5-dioxo-3-[(E)-(1,3,3-trimethylindol-2-ylidene)methyl]pyrrolidin-1-yl]phenyl]acetamide is CC(=O)Nc1ccc(N2C(=O)C[C@@H](/C=C3/N(C)c4ccccc4C3(C)C)C2=O)cc1.
What is the InChIKey of N-[4-[(3S)-2,5-dioxo-3-[(E)-(1,3,3-trimethylindol-2-ylidene)methyl]pyrrolidin-1-yl]phenyl]acetamide?
The InChIKey is KDHHRZAHVXWKLS-WMRWHDLOSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-15(28)25-17-9-11-18(12-10-17)27-22(29)14-16(23(27)30)13-21-24(2,3)19-7-5-6-8-20(19)26(21)4/h5-13,16H,14H2,1-4H3,(H,25,28)/b21-13+/t16-/m1/s1.
What are the key properties of N-[4-[(3S)-2,5-dioxo-3-[(E)-(1,3,3-trimethylindol-2-ylidene)methyl]pyrrolidin-1-yl]phenyl]acetamide?
N-[4-[(3S)-2,5-dioxo-3-[(E)-(1,3,3-trimethylindol-2-ylidene)methyl]pyrrolidin-1-yl]phenyl]acetamide has a molecular weight of 403.48 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3S)-2,5-dioxo-3-[(E)-(1,3,3-trimethylindol-2-ylidene)methyl]pyrrolidin-1-yl]phenyl]acetamide is sourced from PubChem (CID 1179629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).