3-(2-methyl-2,3-dihydroindol-1-yl)-N-(2-morpholin-4-ylphenyl)-3-oxopropanamide

C22H25N3O3 — CID 108956535

IUPAC3-(2-methyl-2,3-dihydroindol-1-yl)-N-(2-morpholin-4-ylphenyl)-3-oxopropanamide
SMILESCC1Cc2ccccc2N1C(=O)CC(=O)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C22H25N3O3/c1-16-14-17-6-2-4-8-19(17)25(16)22(27)15-21(26)23-18-7-3-5-9-20(18)24-10-12-28-13-11-24/h2-9,16H,10-15H2,1H3,(H,23,26)
InChIKeyOIVSNGZZJUSIDX-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.83
Rot. Bonds4

About 3-(2-methyl-2,3-dihydroindol-1-yl)-N-(2-morpholin-4-ylphenyl)-3-oxopropanamide

3-(2-methyl-2,3-dihydroindol-1-yl)-N-(2-morpholin-4-ylphenyl)-3-oxopropanamide (PubChem CID 108956535) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 3-(2-methyl-2,3-dihydroindol-1-yl)-N-(2-morpholin-4-ylphenyl)-3-oxopropanamide.

Molecular Properties

Compound Name3-(2-methyl-2,3-dihydroindol-1-yl)-N-(2-morpholin-4-ylphenyl)-3-oxopropanamide
PubChem CID108956535
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name3-(2-methyl-2,3-dihydroindol-1-yl)-N-(2-morpholin-4-ylphenyl)-3-oxopropanamide
SMILESCC1Cc2ccccc2N1C(=O)CC(=O)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C22H25N3O3/c1-16-14-17-6-2-4-8-19(17)25(16)22(27)15-21(26)23-18-7-3-5-9-20(18)24-10-12-28-13-11-24/h2-9,16H,10-15H2,1H3,(H,23,26)
InChIKeyOIVSNGZZJUSIDX-UHFFFAOYSA-N
XLogP2.83
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(2-fluorophenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide
CID 108954785
N-(2-morpholin-4-ylphenyl)-3-oxobutanamide
CID 18071535
2-(5-chloro-2-morpholin-4-ylanilino)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 7778266
3-(2-methyl-2,3-dihydroindol-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]-3-oxopropanamide
CID 108956522
methyl-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]azanium
CID 8592833
N',N'-diethyl-N-(2-morpholin-4-ylphenyl)propanediamide
CID 108951131
2-bromo-N-(2-morpholin-4-ylphenyl)acetamide
CID 60650852
1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]ethanone
CID 41325271
N-(3,4-dichlorophenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide
CID 108956828
2-(2-aminophenyl)-N-(2-morpholin-4-ylphenyl)acetamide
CID 28712686
N-(3-chloro-4-methylphenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide
CID 108955284
N-(2-chlorophenyl)-2-[4-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
CID 9434251

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-2,3-dihydroindol-1-yl)-N-(2-morpholin-4-ylphenyl)-3-oxopropanamide?
The IUPAC name of 3-(2-methyl-2,3-dihydroindol-1-yl)-N-(2-morpholin-4-ylphenyl)-3-oxopropanamide (CID 108956535) is 3-(2-methyl-2,3-dihydroindol-1-yl)-N-(2-morpholin-4-ylphenyl)-3-oxopropanamide.
What is the SMILES notation for 3-(2-methyl-2,3-dihydroindol-1-yl)-N-(2-morpholin-4-ylphenyl)-3-oxopropanamide?
The canonical SMILES for 3-(2-methyl-2,3-dihydroindol-1-yl)-N-(2-morpholin-4-ylphenyl)-3-oxopropanamide is CC1Cc2ccccc2N1C(=O)CC(=O)Nc1ccccc1N1CCOCC1.
What is the InChIKey of 3-(2-methyl-2,3-dihydroindol-1-yl)-N-(2-morpholin-4-ylphenyl)-3-oxopropanamide?
The InChIKey is OIVSNGZZJUSIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-16-14-17-6-2-4-8-19(17)25(16)22(27)15-21(26)23-18-7-3-5-9-20(18)24-10-12-28-13-11-24/h2-9,16H,10-15H2,1H3,(H,23,26).
What are the key properties of 3-(2-methyl-2,3-dihydroindol-1-yl)-N-(2-morpholin-4-ylphenyl)-3-oxopropanamide?
3-(2-methyl-2,3-dihydroindol-1-yl)-N-(2-morpholin-4-ylphenyl)-3-oxopropanamide has a molecular weight of 379.46 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-2,3-dihydroindol-1-yl)-N-(2-morpholin-4-ylphenyl)-3-oxopropanamide is sourced from PubChem (CID 108956535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).