methyl 1-[3-(4-propan-2-ylphenyl)propanoyl]-2,3-dihydroindole-5-carboxylate

C22H25NO3 — CID 55775940

IUPACmethyl 1-[3-(4-propan-2-ylphenyl)propanoyl]-2,3-dihydroindole-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)CCN2C(=O)CCc1ccc(C(C)C)cc1
InChIInChI=1S/C22H25NO3/c1-15(2)17-7-4-16(5-8-17)6-11-21(24)23-13-12-18-14-19(22(25)26-3)9-10-20(18)23/h4-5,7-10,14-15H,6,11-13H2,1-3H3
InChIKeyFMAVXDKIYOXEQG-UHFFFAOYSA-N
MW351.45 g/mol
LogP4.12
Rot. Bonds5

About methyl 1-[3-(4-propan-2-ylphenyl)propanoyl]-2,3-dihydroindole-5-carboxylate

methyl 1-[3-(4-propan-2-ylphenyl)propanoyl]-2,3-dihydroindole-5-carboxylate (PubChem CID 55775940) has the molecular formula C22H25NO3 and a molecular weight of 351.45 g/mol. Its IUPAC name is methyl 1-[3-(4-propan-2-ylphenyl)propanoyl]-2,3-dihydroindole-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-[3-(4-propan-2-ylphenyl)propanoyl]-2,3-dihydroindole-5-carboxylate
PubChem CID55775940
Molecular FormulaC22H25NO3
Molecular Weight351.45 g/mol
Exact Mass351.18
IUPAC Namemethyl 1-[3-(4-propan-2-ylphenyl)propanoyl]-2,3-dihydroindole-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)CCN2C(=O)CCc1ccc(C(C)C)cc1
InChIInChI=1S/C22H25NO3/c1-15(2)17-7-4-16(5-8-17)6-11-21(24)23-13-12-18-14-19(22(25)26-3)9-10-20(18)23/h4-5,7-10,14-15H,6,11-13H2,1-3H3
InChIKeyFMAVXDKIYOXEQG-UHFFFAOYSA-N
XLogP4.12
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-(2-methylpropanoyl)-2,3-dihydroindole-5-carboxylate
CID 86917334
methyl 1-(3,3-dimethylbutanoyl)-2,3-dihydroindole-5-carboxylate
CID 86917336
methyl 1-[2-(4-pyrrol-1-ylphenyl)acetyl]-2,3-dihydroindole-5-carboxylate
CID 55670956
methyl 1-[2-(2-propan-2-yl-1,3-thiazol-4-yl)acetyl]-2,3-dihydroindole-5-carboxylate
CID 55686184
3-morpholin-4-yl-1-(5-propan-2-yl-2,3-dihydroindol-1-yl)propan-1-one
CID 90144710
methyl 1-benzoyl-2,3-dihydroindole-5-carboxylate
CID 10660450
3-(4-methoxyphenyl)-1-(5-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)propan-1-one
CID 110316014
4-amino-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one
CID 120560186
1-butanoyl-2,3-dihydroindole-5-carboxylic acid
CID 43142326
4-amino-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one;hydrochloride
CID 119286836
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 4-propan-2-ylbenzoate
CID 2715336
methyl 3-[(1-propanoyl-2,3-dihydroindole-5-carbonyl)amino]benzoate
CID 46490405

Frequently Asked Questions

What is the IUPAC name of methyl 1-[3-(4-propan-2-ylphenyl)propanoyl]-2,3-dihydroindole-5-carboxylate?
The IUPAC name of methyl 1-[3-(4-propan-2-ylphenyl)propanoyl]-2,3-dihydroindole-5-carboxylate (CID 55775940) is methyl 1-[3-(4-propan-2-ylphenyl)propanoyl]-2,3-dihydroindole-5-carboxylate.
What is the SMILES notation for methyl 1-[3-(4-propan-2-ylphenyl)propanoyl]-2,3-dihydroindole-5-carboxylate?
The canonical SMILES for methyl 1-[3-(4-propan-2-ylphenyl)propanoyl]-2,3-dihydroindole-5-carboxylate is COC(=O)c1ccc2c(c1)CCN2C(=O)CCc1ccc(C(C)C)cc1.
What is the InChIKey of methyl 1-[3-(4-propan-2-ylphenyl)propanoyl]-2,3-dihydroindole-5-carboxylate?
The InChIKey is FMAVXDKIYOXEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO3/c1-15(2)17-7-4-16(5-8-17)6-11-21(24)23-13-12-18-14-19(22(25)26-3)9-10-20(18)23/h4-5,7-10,14-15H,6,11-13H2,1-3H3.
What are the key properties of methyl 1-[3-(4-propan-2-ylphenyl)propanoyl]-2,3-dihydroindole-5-carboxylate?
methyl 1-[3-(4-propan-2-ylphenyl)propanoyl]-2,3-dihydroindole-5-carboxylate has a molecular weight of 351.45 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[3-(4-propan-2-ylphenyl)propanoyl]-2,3-dihydroindole-5-carboxylate is sourced from PubChem (CID 55775940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).