N-[3-(2-oxopyrrolidin-1-yl)phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide

C22H23N3O3 — CID 46491877

IUPACN-[3-(2-oxopyrrolidin-1-yl)phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
SMILESCCC(=O)N1CCc2cc(C(=O)Nc3cccc(N4CCCC4=O)c3)ccc21
InChIInChI=1S/C22H23N3O3/c1-2-20(26)25-12-10-15-13-16(8-9-19(15)25)22(28)23-17-5-3-6-18(14-17)24-11-4-7-21(24)27/h3,5-6,8-9,13-14H,2,4,7,10-12H2,1H3,(H,23,28)
InChIKeyHCSNLUAYCKTRSP-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.36
Rot. Bonds4

About N-[3-(2-oxopyrrolidin-1-yl)phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide

N-[3-(2-oxopyrrolidin-1-yl)phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide (PubChem CID 46491877) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is N-[3-(2-oxopyrrolidin-1-yl)phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(2-oxopyrrolidin-1-yl)phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
PubChem CID46491877
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC NameN-[3-(2-oxopyrrolidin-1-yl)phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
SMILESCCC(=O)N1CCc2cc(C(=O)Nc3cccc(N4CCCC4=O)c3)ccc21
InChIInChI=1S/C22H23N3O3/c1-2-20(26)25-12-10-15-13-16(8-9-19(15)25)22(28)23-17-5-3-6-18(14-17)24-11-4-7-21(24)27/h3,5-6,8-9,13-14H,2,4,7,10-12H2,1H3,(H,23,28)
InChIKeyHCSNLUAYCKTRSP-UHFFFAOYSA-N
XLogP3.36
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 ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(ethylcarbamoyl)phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 47047847
methyl 3-[(1-propanoyl-2,3-dihydroindole-5-carbonyl)amino]benzoate
CID 46490405
4-butyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 8589902
3-iodo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 9050034
3-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-N-propylbenzamide
CID 55705699
3-acetamido-4-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 46471677
N-(3-hydroxyphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 78816654
4-[(S)-methylsulfinyl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 25472925
N-[4-(2-methylpropanoylamino)phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 55787282
N-(1-methyl-2,3-dihydroindol-6-yl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 155946788
3-methoxy-N-[3-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687642
4-chloro-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 27604865

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-oxopyrrolidin-1-yl)phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide?
The IUPAC name of N-[3-(2-oxopyrrolidin-1-yl)phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide (CID 46491877) is N-[3-(2-oxopyrrolidin-1-yl)phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for N-[3-(2-oxopyrrolidin-1-yl)phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for N-[3-(2-oxopyrrolidin-1-yl)phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide is CCC(=O)N1CCc2cc(C(=O)Nc3cccc(N4CCCC4=O)c3)ccc21.
What is the InChIKey of N-[3-(2-oxopyrrolidin-1-yl)phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide?
The InChIKey is HCSNLUAYCKTRSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-2-20(26)25-12-10-15-13-16(8-9-19(15)25)22(28)23-17-5-3-6-18(14-17)24-11-4-7-21(24)27/h3,5-6,8-9,13-14H,2,4,7,10-12H2,1H3,(H,23,28).
What are the key properties of N-[3-(2-oxopyrrolidin-1-yl)phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide?
N-[3-(2-oxopyrrolidin-1-yl)phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide has a molecular weight of 377.44 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-oxopyrrolidin-1-yl)phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 46491877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).