1-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide

C23H25N3O3 — CID 53155717

IUPAC1-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCC(=O)N1CCc2cc(N3CC(C(=O)NCc4ccccc4C)CC3=O)ccc21
InChIInChI=1S/C23H25N3O3/c1-15-5-3-4-6-18(15)13-24-23(29)19-12-22(28)26(14-19)20-7-8-21-17(11-20)9-10-25(21)16(2)27/h3-8,11,19H,9-10,12-14H2,1-2H3,(H,24,29)
InChIKeyROMSLNAKFBIJPO-UHFFFAOYSA-N
MW391.47 g/mol
LogP2.57
Rot. Bonds4

About 1-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide

1-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 53155717) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 1-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID53155717
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name1-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCC(=O)N1CCc2cc(N3CC(C(=O)NCc4ccccc4C)CC3=O)ccc21
InChIInChI=1S/C23H25N3O3/c1-15-5-3-4-6-18(15)13-24-23(29)19-12-22(28)26(14-19)20-7-8-21-17(11-20)9-10-25(21)16(2)27/h3-8,11,19H,9-10,12-14H2,1-2H3,(H,24,29)
InChIKeyROMSLNAKFBIJPO-UHFFFAOYSA-N
XLogP2.57
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(3,4-dimethylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 95098495
(3S)-1-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(3,4-dimethylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 95098496
1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 53155643
1-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(2-chloro-4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 53155688
(3S)-1-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(3-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 95098298
(3R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(3-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 95098297
1-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 53155660
(3R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 95098315
(3S)-1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 95098350
(3S)-1-(4-methylphenyl)-N-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 9103777
(3S)-N-[(2-methylphenyl)methyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 40978837
1-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(3-chloro-4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 53155687

Frequently Asked Questions

What is the IUPAC name of 1-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 53155717) is 1-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide is CC(=O)N1CCc2cc(N3CC(C(=O)NCc4ccccc4C)CC3=O)ccc21.
What is the InChIKey of 1-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ROMSLNAKFBIJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-15-5-3-4-6-18(15)13-24-23(29)19-12-22(28)26(14-19)20-7-8-21-17(11-20)9-10-25(21)16(2)27/h3-8,11,19H,9-10,12-14H2,1-2H3,(H,24,29).
What are the key properties of 1-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
1-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 391.47 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 53155717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).