methyl 2-(1-acetyl-5-methoxy-2-methylindol-3-yl)acetate

C15H17NO4 — CID 131851971

IUPACmethyl 2-(1-acetyl-5-methoxy-2-methylindol-3-yl)acetate
SMILESCOC(=O)Cc1c(C)n(C(C)=O)c2ccc(OC)cc12
InChIInChI=1S/C15H17NO4/c1-9-12(8-15(18)20-4)13-7-11(19-3)5-6-14(13)16(9)10(2)17/h5-7H,8H2,1-4H3
InChIKeyBUZYBPHXZKTNQX-UHFFFAOYSA-N
MW275.30 g/mol
LogP2.33
Rot. Bonds3

About methyl 2-(1-acetyl-5-methoxy-2-methylindol-3-yl)acetate

methyl 2-(1-acetyl-5-methoxy-2-methylindol-3-yl)acetate (PubChem CID 131851971) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is methyl 2-(1-acetyl-5-methoxy-2-methylindol-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(1-acetyl-5-methoxy-2-methylindol-3-yl)acetate
PubChem CID131851971
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Namemethyl 2-(1-acetyl-5-methoxy-2-methylindol-3-yl)acetate
SMILESCOC(=O)Cc1c(C)n(C(C)=O)c2ccc(OC)cc12
InChIInChI=1S/C15H17NO4/c1-9-12(8-15(18)20-4)13-7-11(19-3)5-6-14(13)16(9)10(2)17/h5-7H,8H2,1-4H3
InChIKeyBUZYBPHXZKTNQX-UHFFFAOYSA-N
XLogP2.33
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]acetate
CID 154279284
methyl 2-[1-[(4-bromophenyl)methyl]-5-methoxy-2-methylindol-3-yl]acetate
CID 54300597
(4-chlorophenyl) 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate
CID 2457568
methyl 2-[1-(4-chlorobenzoyl)-2-methyl-5-trimethylsilyloxyindol-3-yl]acetate
CID 587439
copper bis(2-[2-(1-benzoyl-5-methoxy-2-methylindol-3-yl)acetyl]oxyacetate)
CID 11848850
bis(2-[2-(1-benzoyl-5-methoxy-2-methylindol-3-yl)acetyl]oxyacetate);ruthenium(2+)
CID 11848852
2-[5-methoxy-2-methyl-1-(2-phenoxyacetyl)indol-3-yl]acetic acid
CID 154140708
tert-butyl 4-[4-[5-methoxy-3-(2-methoxy-2-oxoethyl)-2-methylindole-1-carbonyl]phenyl]piperidine-1-carboxylate
CID 134946362
2-[1-(4-ethoxybenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid
CID 11245558
N-(4-acetamidophenyl)-2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetamide
CID 4090966
2-[1-[4-(chloromethyl)benzoyl]-5-methoxy-2-methylindol-3-yl]acetic acid
CID 71718049
[2-(methylcarbamoylamino)-2-oxoethyl] 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate
CID 44713687

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-acetyl-5-methoxy-2-methylindol-3-yl)acetate?
The IUPAC name of methyl 2-(1-acetyl-5-methoxy-2-methylindol-3-yl)acetate (CID 131851971) is methyl 2-(1-acetyl-5-methoxy-2-methylindol-3-yl)acetate.
What is the SMILES notation for methyl 2-(1-acetyl-5-methoxy-2-methylindol-3-yl)acetate?
The canonical SMILES for methyl 2-(1-acetyl-5-methoxy-2-methylindol-3-yl)acetate is COC(=O)Cc1c(C)n(C(C)=O)c2ccc(OC)cc12.
What is the InChIKey of methyl 2-(1-acetyl-5-methoxy-2-methylindol-3-yl)acetate?
The InChIKey is BUZYBPHXZKTNQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-9-12(8-15(18)20-4)13-7-11(19-3)5-6-14(13)16(9)10(2)17/h5-7H,8H2,1-4H3.
What are the key properties of methyl 2-(1-acetyl-5-methoxy-2-methylindol-3-yl)acetate?
methyl 2-(1-acetyl-5-methoxy-2-methylindol-3-yl)acetate has a molecular weight of 275.30 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-acetyl-5-methoxy-2-methylindol-3-yl)acetate is sourced from PubChem (CID 131851971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).