3-[(3R)-1-acetyl-2,3-dihydroindol-3-yl]-N-(2-hydroxy-5-methylphenyl)propanamide

C20H22N2O3 — CID 124888574

IUPAC3-[(3R)-1-acetyl-2,3-dihydroindol-3-yl]-N-(2-hydroxy-5-methylphenyl)propanamide
SMILESCC(=O)N1C[C@H](CCC(=O)Nc2cc(C)ccc2O)c2ccccc21
InChIInChI=1S/C20H22N2O3/c1-13-7-9-19(24)17(11-13)21-20(25)10-8-15-12-22(14(2)23)18-6-4-3-5-16(15)18/h3-7,9,11,15,24H,8,10,12H2,1-2H3,(H,21,25)/t15-/m0/s1
InChIKeyKVFMERADIWRPRU-HNNXBMFYSA-N
MW338.41 g/mol
LogP3.57
Rot. Bonds4

About 3-[(3R)-1-acetyl-2,3-dihydroindol-3-yl]-N-(2-hydroxy-5-methylphenyl)propanamide

3-[(3R)-1-acetyl-2,3-dihydroindol-3-yl]-N-(2-hydroxy-5-methylphenyl)propanamide (PubChem CID 124888574) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 3-[(3R)-1-acetyl-2,3-dihydroindol-3-yl]-N-(2-hydroxy-5-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[(3R)-1-acetyl-2,3-dihydroindol-3-yl]-N-(2-hydroxy-5-methylphenyl)propanamide
PubChem CID124888574
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name3-[(3R)-1-acetyl-2,3-dihydroindol-3-yl]-N-(2-hydroxy-5-methylphenyl)propanamide
SMILESCC(=O)N1C[C@H](CCC(=O)Nc2cc(C)ccc2O)c2ccccc21
InChIInChI=1S/C20H22N2O3/c1-13-7-9-19(24)17(11-13)21-20(25)10-8-15-12-22(14(2)23)18-6-4-3-5-16(15)18/h3-7,9,11,15,24H,8,10,12H2,1-2H3,(H,21,25)/t15-/m0/s1
InChIKeyKVFMERADIWRPRU-HNNXBMFYSA-N
XLogP3.57
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

3-[(3R)-1-acetyl-2,3-dihydroindol-3-yl]-N-(6-methyl-2-oxo-1H-pyrimidin-4-yl)propanamide
CID 124918115
2-(1-acetyl-2,3-dihydroindol-3-yl)acetic acid
CID 44720734
N,N'-bis(2-hydroxy-5-methylphenyl)-2-methylpentanediamide
CID 20778624
N'-hydroxy-N-(2-hydroxy-5-methylphenyl)butanediamide
CID 87750237
1-[3-[2-[4-(4-methylphenyl)piperazin-1-yl]ethyl]-2,3-dihydroindol-1-yl]ethanone;hydrochloride
CID 172708338
1-[3-(trimethylsilylmethyl)-2,3-dihydroindol-1-yl]ethanone
CID 122202357
5-(2-hydroxy-5-methylanilino)-5-oxopentanoate
CID 7162461
2-(1-acetyl-2,3-dihydroindol-3-yl)-N-(4-acetylphenyl)acetamide
CID 110681998
3-(2-aminophenyl)-N-(2-hydroxy-5-methylphenyl)propanamide
CID 107273233
2-(1-acetyl-2,3-dihydroindol-3-yl)-N-cycloheptylacetamide
CID 110681954
3-[(3S)-1-acetyl-2,3-dihydroindol-3-yl]-N-methyl-N-pyridin-3-ylpropanamide
CID 124736923
N-(2-acetamido-5-methylphenyl)-3-aminopropanamide
CID 82034596

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-1-acetyl-2,3-dihydroindol-3-yl]-N-(2-hydroxy-5-methylphenyl)propanamide?
The IUPAC name of 3-[(3R)-1-acetyl-2,3-dihydroindol-3-yl]-N-(2-hydroxy-5-methylphenyl)propanamide (CID 124888574) is 3-[(3R)-1-acetyl-2,3-dihydroindol-3-yl]-N-(2-hydroxy-5-methylphenyl)propanamide.
What is the SMILES notation for 3-[(3R)-1-acetyl-2,3-dihydroindol-3-yl]-N-(2-hydroxy-5-methylphenyl)propanamide?
The canonical SMILES for 3-[(3R)-1-acetyl-2,3-dihydroindol-3-yl]-N-(2-hydroxy-5-methylphenyl)propanamide is CC(=O)N1C[C@H](CCC(=O)Nc2cc(C)ccc2O)c2ccccc21.
What is the InChIKey of 3-[(3R)-1-acetyl-2,3-dihydroindol-3-yl]-N-(2-hydroxy-5-methylphenyl)propanamide?
The InChIKey is KVFMERADIWRPRU-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-13-7-9-19(24)17(11-13)21-20(25)10-8-15-12-22(14(2)23)18-6-4-3-5-16(15)18/h3-7,9,11,15,24H,8,10,12H2,1-2H3,(H,21,25)/t15-/m0/s1.
What are the key properties of 3-[(3R)-1-acetyl-2,3-dihydroindol-3-yl]-N-(2-hydroxy-5-methylphenyl)propanamide?
3-[(3R)-1-acetyl-2,3-dihydroindol-3-yl]-N-(2-hydroxy-5-methylphenyl)propanamide has a molecular weight of 338.41 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-1-acetyl-2,3-dihydroindol-3-yl]-N-(2-hydroxy-5-methylphenyl)propanamide is sourced from PubChem (CID 124888574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).