[2-(5-tert-butyl-2-methoxyanilino)-2-oxoethyl] 2-cyclopentylacetate

C20H29NO4 — CID 2368243

IUPAC[2-(5-tert-butyl-2-methoxyanilino)-2-oxoethyl] 2-cyclopentylacetate
SMILESCOc1ccc(C(C)(C)C)cc1NC(=O)COC(=O)CC1CCCC1
InChIInChI=1S/C20H29NO4/c1-20(2,3)15-9-10-17(24-4)16(12-15)21-18(22)13-25-19(23)11-14-7-5-6-8-14/h9-10,12,14H,5-8,11,13H2,1-4H3,(H,21,22)
InChIKeyCRQPVISZQHIVPX-UHFFFAOYSA-N
MW347.46 g/mol
LogP4.05
Rot. Bonds6

About [2-(5-tert-butyl-2-methoxyanilino)-2-oxoethyl] 2-cyclopentylacetate

[2-(5-tert-butyl-2-methoxyanilino)-2-oxoethyl] 2-cyclopentylacetate (PubChem CID 2368243) has the molecular formula C20H29NO4 and a molecular weight of 347.46 g/mol. Its IUPAC name is [2-(5-tert-butyl-2-methoxyanilino)-2-oxoethyl] 2-cyclopentylacetate.

Molecular Properties

Compound Name[2-(5-tert-butyl-2-methoxyanilino)-2-oxoethyl] 2-cyclopentylacetate
PubChem CID2368243
Molecular FormulaC20H29NO4
Molecular Weight347.46 g/mol
Exact Mass347.21
IUPAC Name[2-(5-tert-butyl-2-methoxyanilino)-2-oxoethyl] 2-cyclopentylacetate
SMILESCOc1ccc(C(C)(C)C)cc1NC(=O)COC(=O)CC1CCCC1
InChIInChI=1S/C20H29NO4/c1-20(2,3)15-9-10-17(24-4)16(12-15)21-18(22)13-25-19(23)11-14-7-5-6-8-14/h9-10,12,14H,5-8,11,13H2,1-4H3,(H,21,22)
InChIKeyCRQPVISZQHIVPX-UHFFFAOYSA-N
XLogP4.05
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(5-tert-butyl-2-methoxyanilino)-2-oxoethyl] 2-cyclopentylacetate?
The IUPAC name of [2-(5-tert-butyl-2-methoxyanilino)-2-oxoethyl] 2-cyclopentylacetate (CID 2368243) is [2-(5-tert-butyl-2-methoxyanilino)-2-oxoethyl] 2-cyclopentylacetate.
What is the SMILES notation for [2-(5-tert-butyl-2-methoxyanilino)-2-oxoethyl] 2-cyclopentylacetate?
The canonical SMILES for [2-(5-tert-butyl-2-methoxyanilino)-2-oxoethyl] 2-cyclopentylacetate is COc1ccc(C(C)(C)C)cc1NC(=O)COC(=O)CC1CCCC1.
What is the InChIKey of [2-(5-tert-butyl-2-methoxyanilino)-2-oxoethyl] 2-cyclopentylacetate?
The InChIKey is CRQPVISZQHIVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO4/c1-20(2,3)15-9-10-17(24-4)16(12-15)21-18(22)13-25-19(23)11-14-7-5-6-8-14/h9-10,12,14H,5-8,11,13H2,1-4H3,(H,21,22).
What are the key properties of [2-(5-tert-butyl-2-methoxyanilino)-2-oxoethyl] 2-cyclopentylacetate?
[2-(5-tert-butyl-2-methoxyanilino)-2-oxoethyl] 2-cyclopentylacetate has a molecular weight of 347.46 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-tert-butyl-2-methoxyanilino)-2-oxoethyl] 2-cyclopentylacetate is sourced from PubChem (CID 2368243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).