2-(1,2-dimethylindol-3-yl)-N-(4-methylphenyl)-2-(2-oxoazetidin-1-yl)acetamide

C22H23N3O2 — CID 3318707

IUPAC2-(1,2-dimethylindol-3-yl)-N-(4-methylphenyl)-2-(2-oxoazetidin-1-yl)acetamide
SMILESCc1ccc(NC(=O)C(c2c(C)n(C)c3ccccc23)N2CCC2=O)cc1
InChIInChI=1S/C22H23N3O2/c1-14-8-10-16(11-9-14)23-22(27)21(25-13-12-19(25)26)20-15(2)24(3)18-7-5-4-6-17(18)20/h4-11,21H,12-13H2,1-3H3,(H,23,27)
InChIKeyHQJLXTYZSNHPEJ-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.71
Rot. Bonds4

About 2-(1,2-dimethylindol-3-yl)-N-(4-methylphenyl)-2-(2-oxoazetidin-1-yl)acetamide

2-(1,2-dimethylindol-3-yl)-N-(4-methylphenyl)-2-(2-oxoazetidin-1-yl)acetamide (PubChem CID 3318707) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 2-(1,2-dimethylindol-3-yl)-N-(4-methylphenyl)-2-(2-oxoazetidin-1-yl)acetamide.

Molecular Properties

Compound Name2-(1,2-dimethylindol-3-yl)-N-(4-methylphenyl)-2-(2-oxoazetidin-1-yl)acetamide
PubChem CID3318707
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name2-(1,2-dimethylindol-3-yl)-N-(4-methylphenyl)-2-(2-oxoazetidin-1-yl)acetamide
SMILESCc1ccc(NC(=O)C(c2c(C)n(C)c3ccccc23)N2CCC2=O)cc1
InChIInChI=1S/C22H23N3O2/c1-14-8-10-16(11-9-14)23-22(27)21(25-13-12-19(25)26)20-15(2)24(3)18-7-5-4-6-17(18)20/h4-11,21H,12-13H2,1-3H3,(H,23,27)
InChIKeyHQJLXTYZSNHPEJ-UHFFFAOYSA-N
XLogP3.71
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-(1,2-dimethylindol-3-yl)-2-pyrrolidin-1-ylacetic acid
CID 82488583
2-(1,2-dimethylindol-3-yl)propanamide
CID 20667705
2-(1,2-dimethylindol-3-yl)-2-(methylamino)acetic acid
CID 82475185
3-methoxy-1-methyl-N-(4-methylphenyl)indole-2-carboxamide
CID 14210891
2-(cyclopropylamino)-2-(1,2-dimethylindol-3-yl)acetic acid
CID 82483496
methyl 2-(1,2-dimethylindol-3-yl)-3,3,3-trifluoropropanoate
CID 75530069
N-(4-methylphenyl)-2-[3-(4-methylphenyl)-2,4-dioxoquinazolin-1-yl]acetamide
CID 22429419
(2R)-N-(4-methylphenyl)-2-(3-oxopiperazin-1-yl)-2-phenylacetamide
CID 2657072
N-(4-acetamidophenyl)-2-(1,2-dimethylindol-3-yl)acetamide
CID 110768882
2-(1,2-dimethylindol-3-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 113211474
2-(3-methyl-2-oxoquinolin-1-yl)-N-(4-methylphenyl)acetamide
CID 110680370
2-(1,2-dimethylindol-3-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 113211478

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dimethylindol-3-yl)-N-(4-methylphenyl)-2-(2-oxoazetidin-1-yl)acetamide?
The IUPAC name of 2-(1,2-dimethylindol-3-yl)-N-(4-methylphenyl)-2-(2-oxoazetidin-1-yl)acetamide (CID 3318707) is 2-(1,2-dimethylindol-3-yl)-N-(4-methylphenyl)-2-(2-oxoazetidin-1-yl)acetamide.
What is the SMILES notation for 2-(1,2-dimethylindol-3-yl)-N-(4-methylphenyl)-2-(2-oxoazetidin-1-yl)acetamide?
The canonical SMILES for 2-(1,2-dimethylindol-3-yl)-N-(4-methylphenyl)-2-(2-oxoazetidin-1-yl)acetamide is Cc1ccc(NC(=O)C(c2c(C)n(C)c3ccccc23)N2CCC2=O)cc1.
What is the InChIKey of 2-(1,2-dimethylindol-3-yl)-N-(4-methylphenyl)-2-(2-oxoazetidin-1-yl)acetamide?
The InChIKey is HQJLXTYZSNHPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-14-8-10-16(11-9-14)23-22(27)21(25-13-12-19(25)26)20-15(2)24(3)18-7-5-4-6-17(18)20/h4-11,21H,12-13H2,1-3H3,(H,23,27).
What are the key properties of 2-(1,2-dimethylindol-3-yl)-N-(4-methylphenyl)-2-(2-oxoazetidin-1-yl)acetamide?
2-(1,2-dimethylindol-3-yl)-N-(4-methylphenyl)-2-(2-oxoazetidin-1-yl)acetamide has a molecular weight of 361.45 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dimethylindol-3-yl)-N-(4-methylphenyl)-2-(2-oxoazetidin-1-yl)acetamide is sourced from PubChem (CID 3318707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).