methyl 2-[5-(3-cyclopentylpropanoylamino)-3,3-dimethyl-2-oxoindol-1-yl]acetate

C21H28N2O4 — CID 75538513

IUPACmethyl 2-[5-(3-cyclopentylpropanoylamino)-3,3-dimethyl-2-oxoindol-1-yl]acetate
SMILESCOC(=O)CN1C(=O)C(C)(C)c2cc(NC(=O)CCC3CCCC3)ccc21
InChIInChI=1S/C21H28N2O4/c1-21(2)16-12-15(22-18(24)11-8-14-6-4-5-7-14)9-10-17(16)23(20(21)26)13-19(25)27-3/h9-10,12,14H,4-8,11,13H2,1-3H3,(H,22,24)
InChIKeyXIXCTYHUWRJCAR-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.39
Rot. Bonds6

About methyl 2-[5-(3-cyclopentylpropanoylamino)-3,3-dimethyl-2-oxoindol-1-yl]acetate

methyl 2-[5-(3-cyclopentylpropanoylamino)-3,3-dimethyl-2-oxoindol-1-yl]acetate (PubChem CID 75538513) has the molecular formula C21H28N2O4 and a molecular weight of 372.47 g/mol. Its IUPAC name is methyl 2-[5-(3-cyclopentylpropanoylamino)-3,3-dimethyl-2-oxoindol-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-(3-cyclopentylpropanoylamino)-3,3-dimethyl-2-oxoindol-1-yl]acetate
PubChem CID75538513
Molecular FormulaC21H28N2O4
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Namemethyl 2-[5-(3-cyclopentylpropanoylamino)-3,3-dimethyl-2-oxoindol-1-yl]acetate
SMILESCOC(=O)CN1C(=O)C(C)(C)c2cc(NC(=O)CCC3CCCC3)ccc21
InChIInChI=1S/C21H28N2O4/c1-21(2)16-12-15(22-18(24)11-8-14-6-4-5-7-14)9-10-17(16)23(20(21)26)13-19(25)27-3/h9-10,12,14H,4-8,11,13H2,1-3H3,(H,22,24)
InChIKeyXIXCTYHUWRJCAR-UHFFFAOYSA-N
XLogP3.39
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-(3-cyclopentylpropanoylamino)-3,3-dimethyl-2-oxoindol-1-yl]acetate?
The IUPAC name of methyl 2-[5-(3-cyclopentylpropanoylamino)-3,3-dimethyl-2-oxoindol-1-yl]acetate (CID 75538513) is methyl 2-[5-(3-cyclopentylpropanoylamino)-3,3-dimethyl-2-oxoindol-1-yl]acetate.
What is the SMILES notation for methyl 2-[5-(3-cyclopentylpropanoylamino)-3,3-dimethyl-2-oxoindol-1-yl]acetate?
The canonical SMILES for methyl 2-[5-(3-cyclopentylpropanoylamino)-3,3-dimethyl-2-oxoindol-1-yl]acetate is COC(=O)CN1C(=O)C(C)(C)c2cc(NC(=O)CCC3CCCC3)ccc21.
What is the InChIKey of methyl 2-[5-(3-cyclopentylpropanoylamino)-3,3-dimethyl-2-oxoindol-1-yl]acetate?
The InChIKey is XIXCTYHUWRJCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4/c1-21(2)16-12-15(22-18(24)11-8-14-6-4-5-7-14)9-10-17(16)23(20(21)26)13-19(25)27-3/h9-10,12,14H,4-8,11,13H2,1-3H3,(H,22,24).
What are the key properties of methyl 2-[5-(3-cyclopentylpropanoylamino)-3,3-dimethyl-2-oxoindol-1-yl]acetate?
methyl 2-[5-(3-cyclopentylpropanoylamino)-3,3-dimethyl-2-oxoindol-1-yl]acetate has a molecular weight of 372.47 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-(3-cyclopentylpropanoylamino)-3,3-dimethyl-2-oxoindol-1-yl]acetate is sourced from PubChem (CID 75538513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).