methyl 2-[5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetate

C21H21NO4 — CID 59787536

IUPACmethyl 2-[5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetate
SMILESCOC(=O)Cc1c(C)n(C(=O)c2ccc(C)cc2)c2ccc(OC)cc12
InChIInChI=1S/C21H21NO4/c1-13-5-7-15(8-6-13)21(24)22-14(2)17(12-20(23)26-4)18-11-16(25-3)9-10-19(18)22/h5-11H,12H2,1-4H3
InChIKeyMESYZYRYLJOPFB-UHFFFAOYSA-N
MW351.40 g/mol
LogP3.67
Rot. Bonds4

About methyl 2-[5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetate

methyl 2-[5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetate (PubChem CID 59787536) has the molecular formula C21H21NO4 and a molecular weight of 351.40 g/mol. Its IUPAC name is methyl 2-[5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetate
PubChem CID59787536
Molecular FormulaC21H21NO4
Molecular Weight351.40 g/mol
Exact Mass351.15
IUPAC Namemethyl 2-[5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetate
SMILESCOC(=O)Cc1c(C)n(C(=O)c2ccc(C)cc2)c2ccc(OC)cc12
InChIInChI=1S/C21H21NO4/c1-13-5-7-15(8-6-13)21(24)22-14(2)17(12-20(23)26-4)18-11-16(25-3)9-10-19(18)22/h5-11H,12H2,1-4H3
InChIKeyMESYZYRYLJOPFB-UHFFFAOYSA-N
XLogP3.67
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetate?
The IUPAC name of methyl 2-[5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetate (CID 59787536) is methyl 2-[5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetate.
What is the SMILES notation for methyl 2-[5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetate?
The canonical SMILES for methyl 2-[5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetate is COC(=O)Cc1c(C)n(C(=O)c2ccc(C)cc2)c2ccc(OC)cc12.
What is the InChIKey of methyl 2-[5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetate?
The InChIKey is MESYZYRYLJOPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO4/c1-13-5-7-15(8-6-13)21(24)22-14(2)17(12-20(23)26-4)18-11-16(25-3)9-10-19(18)22/h5-11H,12H2,1-4H3.
What are the key properties of methyl 2-[5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetate?
methyl 2-[5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetate has a molecular weight of 351.40 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetate is sourced from PubChem (CID 59787536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).