methyl 2-[1-[(4-propan-2-ylphenyl)methyl]-2,3-dihydroindol-3-yl]acetate

C21H25NO2 — CID 71032368

IUPACmethyl 2-[1-[(4-propan-2-ylphenyl)methyl]-2,3-dihydroindol-3-yl]acetate
SMILESCOC(=O)CC1CN(Cc2ccc(C(C)C)cc2)c2ccccc21
InChIInChI=1S/C21H25NO2/c1-15(2)17-10-8-16(9-11-17)13-22-14-18(12-21(23)24-3)19-6-4-5-7-20(19)22/h4-11,15,18H,12-14H2,1-3H3
InChIKeyGZYFYFWQDDNLJV-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.48
Rot. Bonds5

About methyl 2-[1-[(4-propan-2-ylphenyl)methyl]-2,3-dihydroindol-3-yl]acetate

methyl 2-[1-[(4-propan-2-ylphenyl)methyl]-2,3-dihydroindol-3-yl]acetate (PubChem CID 71032368) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is methyl 2-[1-[(4-propan-2-ylphenyl)methyl]-2,3-dihydroindol-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-[(4-propan-2-ylphenyl)methyl]-2,3-dihydroindol-3-yl]acetate
PubChem CID71032368
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Namemethyl 2-[1-[(4-propan-2-ylphenyl)methyl]-2,3-dihydroindol-3-yl]acetate
SMILESCOC(=O)CC1CN(Cc2ccc(C(C)C)cc2)c2ccccc21
InChIInChI=1S/C21H25NO2/c1-15(2)17-10-8-16(9-11-17)13-22-14-18(12-21(23)24-3)19-6-4-5-7-20(19)22/h4-11,15,18H,12-14H2,1-3H3
InChIKeyGZYFYFWQDDNLJV-UHFFFAOYSA-N
XLogP4.48
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[(4-propan-2-ylphenyl)methyl]-2,3-dihydroindol-3-yl]acetate?
The IUPAC name of methyl 2-[1-[(4-propan-2-ylphenyl)methyl]-2,3-dihydroindol-3-yl]acetate (CID 71032368) is methyl 2-[1-[(4-propan-2-ylphenyl)methyl]-2,3-dihydroindol-3-yl]acetate.
What is the SMILES notation for methyl 2-[1-[(4-propan-2-ylphenyl)methyl]-2,3-dihydroindol-3-yl]acetate?
The canonical SMILES for methyl 2-[1-[(4-propan-2-ylphenyl)methyl]-2,3-dihydroindol-3-yl]acetate is COC(=O)CC1CN(Cc2ccc(C(C)C)cc2)c2ccccc21.
What is the InChIKey of methyl 2-[1-[(4-propan-2-ylphenyl)methyl]-2,3-dihydroindol-3-yl]acetate?
The InChIKey is GZYFYFWQDDNLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2/c1-15(2)17-10-8-16(9-11-17)13-22-14-18(12-21(23)24-3)19-6-4-5-7-20(19)22/h4-11,15,18H,12-14H2,1-3H3.
What are the key properties of methyl 2-[1-[(4-propan-2-ylphenyl)methyl]-2,3-dihydroindol-3-yl]acetate?
methyl 2-[1-[(4-propan-2-ylphenyl)methyl]-2,3-dihydroindol-3-yl]acetate has a molecular weight of 323.44 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[(4-propan-2-ylphenyl)methyl]-2,3-dihydroindol-3-yl]acetate is sourced from PubChem (CID 71032368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).