1-(2,3-dihydroindol-1-yl)-2-[[(1R)-1-(4-propan-2-ylphenyl)ethyl]amino]ethanone

C21H26N2O — CID 9439923

IUPAC1-(2,3-dihydroindol-1-yl)-2-[[(1R)-1-(4-propan-2-ylphenyl)ethyl]amino]ethanone
SMILESCC(C)c1ccc([C@@H](C)NCC(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C21H26N2O/c1-15(2)17-8-10-18(11-9-17)16(3)22-14-21(24)23-13-12-19-6-4-5-7-20(19)23/h4-11,15-16,22H,12-14H2,1-3H3/t16-/m1/s1
InChIKeyYBSKUYQIWSCGTN-MRXNPFEDSA-N
MW322.45 g/mol
LogP4.05
Rot. Bonds5

About 1-(2,3-dihydroindol-1-yl)-2-[[(1R)-1-(4-propan-2-ylphenyl)ethyl]amino]ethanone

1-(2,3-dihydroindol-1-yl)-2-[[(1R)-1-(4-propan-2-ylphenyl)ethyl]amino]ethanone (PubChem CID 9439923) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-2-[[(1R)-1-(4-propan-2-ylphenyl)ethyl]amino]ethanone.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-[[(1R)-1-(4-propan-2-ylphenyl)ethyl]amino]ethanone
PubChem CID9439923
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-[[(1R)-1-(4-propan-2-ylphenyl)ethyl]amino]ethanone
SMILESCC(C)c1ccc([C@@H](C)NCC(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C21H26N2O/c1-15(2)17-8-10-18(11-9-17)16(3)22-14-21(24)23-13-12-19-6-4-5-7-20(19)23/h4-11,15-16,22H,12-14H2,1-3H3/t16-/m1/s1
InChIKeyYBSKUYQIWSCGTN-MRXNPFEDSA-N
XLogP4.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2,3-dihydroindol-1-yl)-2-[[(1R)-1-(4-propan-2-ylphenyl)ethyl]amino]ethanone with MolForge

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Related Compounds

(2R)-2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]propanoic acid
CID 83194966
6-[1-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 75442754
1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-[[(1R)-1-phenylethyl]amino]ethanone
CID 164786133
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 4-propan-2-ylbenzoate
CID 2715336
3-(4-aminophenyl)-1-(2,3-dihydroindol-1-yl)butan-1-one
CID 104502030
1-(2,3-dihydroindol-1-yl)-2-[[2-(dimethylamino)-2-phenylethyl]amino]ethanone
CID 5041685
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methyl-2-(4-methylphenyl)butanamide
CID 110406291
1-(2,3-dihydroindol-1-yl)-2-[[5-(4-propan-2-ylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
CID 7754439
methyl 3-(2,3-dihydroindol-1-yl)-3-oxopropanoate
CID 8990559
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-methyl-3-phenylpentanamide
CID 110619444
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-(4-fluorophenyl)butanamide
CID 110619443
(5R)-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
CID 7595801

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[[(1R)-1-(4-propan-2-ylphenyl)ethyl]amino]ethanone?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[[(1R)-1-(4-propan-2-ylphenyl)ethyl]amino]ethanone (CID 9439923) is 1-(2,3-dihydroindol-1-yl)-2-[[(1R)-1-(4-propan-2-ylphenyl)ethyl]amino]ethanone.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-[[(1R)-1-(4-propan-2-ylphenyl)ethyl]amino]ethanone?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-[[(1R)-1-(4-propan-2-ylphenyl)ethyl]amino]ethanone is CC(C)c1ccc([C@@H](C)NCC(=O)N2CCc3ccccc32)cc1.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-[[(1R)-1-(4-propan-2-ylphenyl)ethyl]amino]ethanone?
The InChIKey is YBSKUYQIWSCGTN-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H26N2O/c1-15(2)17-8-10-18(11-9-17)16(3)22-14-21(24)23-13-12-19-6-4-5-7-20(19)23/h4-11,15-16,22H,12-14H2,1-3H3/t16-/m1/s1.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-2-[[(1R)-1-(4-propan-2-ylphenyl)ethyl]amino]ethanone?
1-(2,3-dihydroindol-1-yl)-2-[[(1R)-1-(4-propan-2-ylphenyl)ethyl]amino]ethanone has a molecular weight of 322.45 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)-2-[[(1R)-1-(4-propan-2-ylphenyl)ethyl]amino]ethanone is sourced from PubChem (CID 9439923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).