N-(1-acetyl-2,3-dihydroindol-6-yl)-1-benzyl-5-oxopyrrolidine-2-carboxamide

C22H23N3O3 — CID 110627221

IUPACN-(1-acetyl-2,3-dihydroindol-6-yl)-1-benzyl-5-oxopyrrolidine-2-carboxamide
SMILESCC(=O)N1CCc2ccc(NC(=O)C3CCC(=O)N3Cc3ccccc3)cc21
InChIInChI=1S/C22H23N3O3/c1-15(26)24-12-11-17-7-8-18(13-20(17)24)23-22(28)19-9-10-21(27)25(19)14-16-5-3-2-4-6-16/h2-8,13,19H,9-12,14H2,1H3,(H,23,28)
InChIKeyAQOWQNYPHSRRSE-UHFFFAOYSA-N
MW377.44 g/mol
LogP2.73
Rot. Bonds4

About N-(1-acetyl-2,3-dihydroindol-6-yl)-1-benzyl-5-oxopyrrolidine-2-carboxamide

N-(1-acetyl-2,3-dihydroindol-6-yl)-1-benzyl-5-oxopyrrolidine-2-carboxamide (PubChem CID 110627221) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is N-(1-acetyl-2,3-dihydroindol-6-yl)-1-benzyl-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(1-acetyl-2,3-dihydroindol-6-yl)-1-benzyl-5-oxopyrrolidine-2-carboxamide
PubChem CID110627221
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC NameN-(1-acetyl-2,3-dihydroindol-6-yl)-1-benzyl-5-oxopyrrolidine-2-carboxamide
SMILESCC(=O)N1CCc2ccc(NC(=O)C3CCC(=O)N3Cc3ccccc3)cc21
InChIInChI=1S/C22H23N3O3/c1-15(26)24-12-11-17-7-8-18(13-20(17)24)23-22(28)19-9-10-21(27)25(19)14-16-5-3-2-4-6-16/h2-8,13,19H,9-12,14H2,1H3,(H,23,28)
InChIKeyAQOWQNYPHSRRSE-UHFFFAOYSA-N
XLogP2.73
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetylphenyl)-1-benzyl-5-oxopyrrolidine-2-carboxamide
CID 110423663
1-benzyl-N-(4-ethylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110387648
1-benzyl-N-(3-bromo-5-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110614172
1-benzyl-N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-5-oxopyrrolidine-2-carboxamide
CID 110612890
1-benzyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-5-oxopyrrolidine-2-carboxamide
CID 110412225
1-benzyl-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-oxopyrrolidine-2-carboxamide
CID 110427077
ethyl 4-[(1-benzyl-5-oxopyrrolidine-2-carbonyl)amino]benzoate
CID 110426669
N-(1-benzyl-2,3-dihydroindol-6-yl)cyclohexanecarboxamide
CID 142743440
1-benzyl-N-(2-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110421891
1-benzyl-N-butan-2-yl-5-oxopyrrolidine-2-carboxamide
CID 110387564
N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-2-phenoxyacetamide
CID 7527152
N-(1-acetyl-2,3-dihydroindol-5-yl)-3-phenylpropanamide
CID 42424044

Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-2,3-dihydroindol-6-yl)-1-benzyl-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-(1-acetyl-2,3-dihydroindol-6-yl)-1-benzyl-5-oxopyrrolidine-2-carboxamide (CID 110627221) is N-(1-acetyl-2,3-dihydroindol-6-yl)-1-benzyl-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-(1-acetyl-2,3-dihydroindol-6-yl)-1-benzyl-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-(1-acetyl-2,3-dihydroindol-6-yl)-1-benzyl-5-oxopyrrolidine-2-carboxamide is CC(=O)N1CCc2ccc(NC(=O)C3CCC(=O)N3Cc3ccccc3)cc21.
What is the InChIKey of N-(1-acetyl-2,3-dihydroindol-6-yl)-1-benzyl-5-oxopyrrolidine-2-carboxamide?
The InChIKey is AQOWQNYPHSRRSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-15(26)24-12-11-17-7-8-18(13-20(17)24)23-22(28)19-9-10-21(27)25(19)14-16-5-3-2-4-6-16/h2-8,13,19H,9-12,14H2,1H3,(H,23,28).
What are the key properties of N-(1-acetyl-2,3-dihydroindol-6-yl)-1-benzyl-5-oxopyrrolidine-2-carboxamide?
N-(1-acetyl-2,3-dihydroindol-6-yl)-1-benzyl-5-oxopyrrolidine-2-carboxamide has a molecular weight of 377.44 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetyl-2,3-dihydroindol-6-yl)-1-benzyl-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 110627221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).