methyl 2-oxo-2-[1-(3-propoxypropyl)indol-3-yl]acetate

C17H21NO4 — CID 143393503

IUPACmethyl 2-oxo-2-[1-(3-propoxypropyl)indol-3-yl]acetate
SMILESCCCOCCCn1cc(C(=O)C(=O)OC)c2ccccc21
InChIInChI=1S/C17H21NO4/c1-3-10-22-11-6-9-18-12-14(16(19)17(20)21-2)13-7-4-5-8-15(13)18/h4-5,7-8,12H,3,6,9-11H2,1-2H3
InChIKeyYCQOUWWOZAMIOQ-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.81
Rot. Bonds8

About methyl 2-oxo-2-[1-(3-propoxypropyl)indol-3-yl]acetate

methyl 2-oxo-2-[1-(3-propoxypropyl)indol-3-yl]acetate (PubChem CID 143393503) has the molecular formula C17H21NO4 and a molecular weight of 303.36 g/mol. Its IUPAC name is methyl 2-oxo-2-[1-(3-propoxypropyl)indol-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-oxo-2-[1-(3-propoxypropyl)indol-3-yl]acetate
PubChem CID143393503
Molecular FormulaC17H21NO4
Molecular Weight303.36 g/mol
Exact Mass303.15
IUPAC Namemethyl 2-oxo-2-[1-(3-propoxypropyl)indol-3-yl]acetate
SMILESCCCOCCCn1cc(C(=O)C(=O)OC)c2ccccc21
InChIInChI=1S/C17H21NO4/c1-3-10-22-11-6-9-18-12-14(16(19)17(20)21-2)13-7-4-5-8-15(13)18/h4-5,7-8,12H,3,6,9-11H2,1-2H3
InChIKeyYCQOUWWOZAMIOQ-UHFFFAOYSA-N
XLogP2.81
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-(1-dodecylindol-3-yl)-2-oxoacetamide
CID 174644392
methyl 2-(1-butylpyrrolo[2,3-b]pyridin-3-yl)-2-oxoacetate
CID 58719772
methyl 2-(1-ethoxyindol-3-yl)-2-oxoacetate
CID 11831748
methyl 2-(1-methoxyindol-3-yl)-2-oxoacetate
CID 11128197
2-[1-(3-ethoxypropyl)indol-3-yl]acetic acid
CID 65175428
methyl 2-[3-[2-(diethylamino)-2-oxoacetyl]indol-1-yl]acetate
CID 21380679
(2-methoxynaphthalen-1-yl)-(1-pentylindol-3-yl)methanone
CID 11268746
1-[1-[4-[3-(2-oxo-2-pyrrolidin-1-ylacetyl)indol-1-yl]butyl]indol-3-yl]-2-pyrrolidin-1-ylethane-1,2-dione
CID 53248812
2-bromoethoxy-tert-butyl-dimethylsilane;methyl 2-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]indol-3-yl]-2-oxoacetate;methyl 2-(1H-indol-3-yl)-2-oxoacetate
CID 159279518
3-(1-naphthalen-1-ylethenyl)-1-pentylindole
CID 144557582
(4-methylphenyl)-(1-pentylindol-3-yl)methanone
CID 170857148
methyl 1-(3-amino-3-methylbutyl)indole-3-carboxylate
CID 58875117

Frequently Asked Questions

What is the IUPAC name of methyl 2-oxo-2-[1-(3-propoxypropyl)indol-3-yl]acetate?
The IUPAC name of methyl 2-oxo-2-[1-(3-propoxypropyl)indol-3-yl]acetate (CID 143393503) is methyl 2-oxo-2-[1-(3-propoxypropyl)indol-3-yl]acetate.
What is the SMILES notation for methyl 2-oxo-2-[1-(3-propoxypropyl)indol-3-yl]acetate?
The canonical SMILES for methyl 2-oxo-2-[1-(3-propoxypropyl)indol-3-yl]acetate is CCCOCCCn1cc(C(=O)C(=O)OC)c2ccccc21.
What is the InChIKey of methyl 2-oxo-2-[1-(3-propoxypropyl)indol-3-yl]acetate?
The InChIKey is YCQOUWWOZAMIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4/c1-3-10-22-11-6-9-18-12-14(16(19)17(20)21-2)13-7-4-5-8-15(13)18/h4-5,7-8,12H,3,6,9-11H2,1-2H3.
What are the key properties of methyl 2-oxo-2-[1-(3-propoxypropyl)indol-3-yl]acetate?
methyl 2-oxo-2-[1-(3-propoxypropyl)indol-3-yl]acetate has a molecular weight of 303.36 g/mol, XLogP of 2.81, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-oxo-2-[1-(3-propoxypropyl)indol-3-yl]acetate is sourced from PubChem (CID 143393503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).