methyl 2-[3-(2,2-dimethylpropanoyl)indol-1-yl]acetate

C16H19NO3 — CID 2973654

IUPACmethyl 2-[3-(2,2-dimethylpropanoyl)indol-1-yl]acetate
SMILESCOC(=O)Cn1cc(C(=O)C(C)(C)C)c2ccccc21
InChIInChI=1S/C16H19NO3/c1-16(2,3)15(19)12-9-17(10-14(18)20-4)13-8-6-5-7-11(12)13/h5-9H,10H2,1-4H3
InChIKeyFLGCJSKEOZOPIQ-UHFFFAOYSA-N
MW273.33 g/mol
LogP3.04
Rot. Bonds3

About methyl 2-[3-(2,2-dimethylpropanoyl)indol-1-yl]acetate

methyl 2-[3-(2,2-dimethylpropanoyl)indol-1-yl]acetate (PubChem CID 2973654) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is methyl 2-[3-(2,2-dimethylpropanoyl)indol-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-(2,2-dimethylpropanoyl)indol-1-yl]acetate
PubChem CID2973654
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Namemethyl 2-[3-(2,2-dimethylpropanoyl)indol-1-yl]acetate
SMILESCOC(=O)Cn1cc(C(=O)C(C)(C)C)c2ccccc21
InChIInChI=1S/C16H19NO3/c1-16(2,3)15(19)12-9-17(10-14(18)20-4)13-8-6-5-7-11(12)13/h5-9H,10H2,1-4H3
InChIKeyFLGCJSKEOZOPIQ-UHFFFAOYSA-N
XLogP3.04
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-[3-(2,2-dimethylpropanoyl)indol-1-yl]acetamide
CID 4028183
methyl 2-(3-chloroindol-1-yl)acetate
CID 62805557
2,2-dimethyl-1-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]propan-1-one
CID 1095445
methyl 2-[3-[2-(diethylamino)-2-oxoacetyl]indol-1-yl]acetate
CID 21380679
tert-butyl 2-(3-acetylindol-1-yl)acetate
CID 118322378
methyl 1-(2-ethoxy-2-oxoethyl)indole-3-carboxylate
CID 654649
N-(2,5-dimethylphenyl)-2-[3-(2,2-dimethylpropanoyl)indol-1-yl]acetamide
CID 3525622
1-[1-[(2-fluorophenyl)methyl]indol-3-yl]-2,2-dimethylpropan-1-one
CID 4655393
2-(3-methoxycarbonylindol-1-yl)acetic acid
CID 4962452
2,2-dimethyl-1-[1-(2-naphthalen-1-yloxyethyl)indol-3-yl]propan-1-one
CID 3965058
methyl 2-(3-formyl-4-oxoquinolin-1-yl)acetate
CID 155388733
methyl 2-[3-(2-aminopropyl)indol-1-yl]acetate
CID 170891361

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(2,2-dimethylpropanoyl)indol-1-yl]acetate?
The IUPAC name of methyl 2-[3-(2,2-dimethylpropanoyl)indol-1-yl]acetate (CID 2973654) is methyl 2-[3-(2,2-dimethylpropanoyl)indol-1-yl]acetate.
What is the SMILES notation for methyl 2-[3-(2,2-dimethylpropanoyl)indol-1-yl]acetate?
The canonical SMILES for methyl 2-[3-(2,2-dimethylpropanoyl)indol-1-yl]acetate is COC(=O)Cn1cc(C(=O)C(C)(C)C)c2ccccc21.
What is the InChIKey of methyl 2-[3-(2,2-dimethylpropanoyl)indol-1-yl]acetate?
The InChIKey is FLGCJSKEOZOPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-16(2,3)15(19)12-9-17(10-14(18)20-4)13-8-6-5-7-11(12)13/h5-9H,10H2,1-4H3.
What are the key properties of methyl 2-[3-(2,2-dimethylpropanoyl)indol-1-yl]acetate?
methyl 2-[3-(2,2-dimethylpropanoyl)indol-1-yl]acetate has a molecular weight of 273.33 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(2,2-dimethylpropanoyl)indol-1-yl]acetate is sourced from PubChem (CID 2973654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).