2-methylpropyl 2-(5-propan-2-ylindol-1-yl)butanoate

C19H27NO2 — CID 110831037

IUPAC2-methylpropyl 2-(5-propan-2-ylindol-1-yl)butanoate
SMILESCCC(C(=O)OCC(C)C)n1ccc2cc(C(C)C)ccc21
InChIInChI=1S/C19H27NO2/c1-6-17(19(21)22-12-13(2)3)20-10-9-16-11-15(14(4)5)7-8-18(16)20/h7-11,13-14,17H,6,12H2,1-5H3
InChIKeyCMTRDSNPCKYGCS-UHFFFAOYSA-N
MW301.43 g/mol
LogP4.91
Rot. Bonds6

About 2-methylpropyl 2-(5-propan-2-ylindol-1-yl)butanoate

2-methylpropyl 2-(5-propan-2-ylindol-1-yl)butanoate (PubChem CID 110831037) has the molecular formula C19H27NO2 and a molecular weight of 301.43 g/mol. Its IUPAC name is 2-methylpropyl 2-(5-propan-2-ylindol-1-yl)butanoate.

Molecular Properties

Compound Name2-methylpropyl 2-(5-propan-2-ylindol-1-yl)butanoate
PubChem CID110831037
Molecular FormulaC19H27NO2
Molecular Weight301.43 g/mol
Exact Mass301.20
IUPAC Name2-methylpropyl 2-(5-propan-2-ylindol-1-yl)butanoate
SMILESCCC(C(=O)OCC(C)C)n1ccc2cc(C(C)C)ccc21
InChIInChI=1S/C19H27NO2/c1-6-17(19(21)22-12-13(2)3)20-10-9-16-11-15(14(4)5)7-8-18(16)20/h7-11,13-14,17H,6,12H2,1-5H3
InChIKeyCMTRDSNPCKYGCS-UHFFFAOYSA-N
XLogP4.91
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-butan-2-yl-1-propan-2-ylindole
CID 135200251
ethyl 4-[(5-propan-2-ylindol-1-yl)methyl]benzoate
CID 110831059
ethyl 2-(5-bromoindol-1-yl)pentanoate
CID 113345781
2-(5-methoxyindol-1-yl)-4-methylpentanoic acid
CID 114282497
(2R)-2-(5-methoxyindol-1-yl)-4-methylpentanoic acid
CID 114282498
ethane;1-ethyl-5-propan-2-ylindole-2-carboxylic acid
CID 142207725
ethyl 2-(5-phenylmethoxyindol-1-yl)hexanoate
CID 66821164
1-(3,4-dimethylphenyl)-2-(5-propan-2-ylindol-1-yl)ethanone
CID 110831104
ethyl 3-oxo-2-[2-(1-propan-2-ylindol-5-yl)hydrazinyl]propanoate
CID 166063206
2-(5-nitroindol-1-yl)propyl acetate
CID 174507560
N-cyclopentyl-2-(5-propan-2-ylindol-1-yl)acetamide
CID 110831029
5-butan-2-yl-1-methylindole;ethane
CID 143601269

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-(5-propan-2-ylindol-1-yl)butanoate?
The IUPAC name of 2-methylpropyl 2-(5-propan-2-ylindol-1-yl)butanoate (CID 110831037) is 2-methylpropyl 2-(5-propan-2-ylindol-1-yl)butanoate.
What is the SMILES notation for 2-methylpropyl 2-(5-propan-2-ylindol-1-yl)butanoate?
The canonical SMILES for 2-methylpropyl 2-(5-propan-2-ylindol-1-yl)butanoate is CCC(C(=O)OCC(C)C)n1ccc2cc(C(C)C)ccc21.
What is the InChIKey of 2-methylpropyl 2-(5-propan-2-ylindol-1-yl)butanoate?
The InChIKey is CMTRDSNPCKYGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO2/c1-6-17(19(21)22-12-13(2)3)20-10-9-16-11-15(14(4)5)7-8-18(16)20/h7-11,13-14,17H,6,12H2,1-5H3.
What are the key properties of 2-methylpropyl 2-(5-propan-2-ylindol-1-yl)butanoate?
2-methylpropyl 2-(5-propan-2-ylindol-1-yl)butanoate has a molecular weight of 301.43 g/mol, XLogP of 4.91, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2-(5-propan-2-ylindol-1-yl)butanoate is sourced from PubChem (CID 110831037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).