[2-(2-ethoxyanilino)-2-oxoethyl] 2-(4-tert-butylphenoxy)acetate

C22H27NO5 — CID 9328128

IUPAC[2-(2-ethoxyanilino)-2-oxoethyl] 2-(4-tert-butylphenoxy)acetate
SMILESCCOc1ccccc1NC(=O)COC(=O)COc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C22H27NO5/c1-5-26-19-9-7-6-8-18(19)23-20(24)14-28-21(25)15-27-17-12-10-16(11-13-17)22(2,3)4/h6-13H,5,14-15H2,1-4H3,(H,23,24)
InChIKeyDPWVUMOBCHKBEZ-UHFFFAOYSA-N
MW385.46 g/mol
LogP3.94
Rot. Bonds8

About [2-(2-ethoxyanilino)-2-oxoethyl] 2-(4-tert-butylphenoxy)acetate

[2-(2-ethoxyanilino)-2-oxoethyl] 2-(4-tert-butylphenoxy)acetate (PubChem CID 9328128) has the molecular formula C22H27NO5 and a molecular weight of 385.46 g/mol. Its IUPAC name is [2-(2-ethoxyanilino)-2-oxoethyl] 2-(4-tert-butylphenoxy)acetate.

Molecular Properties

Compound Name[2-(2-ethoxyanilino)-2-oxoethyl] 2-(4-tert-butylphenoxy)acetate
PubChem CID9328128
Molecular FormulaC22H27NO5
Molecular Weight385.46 g/mol
Exact Mass385.19
IUPAC Name[2-(2-ethoxyanilino)-2-oxoethyl] 2-(4-tert-butylphenoxy)acetate
SMILESCCOc1ccccc1NC(=O)COC(=O)COc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C22H27NO5/c1-5-26-19-9-7-6-8-18(19)23-20(24)14-28-21(25)15-27-17-12-10-16(11-13-17)22(2,3)4/h6-13H,5,14-15H2,1-4H3,(H,23,24)
InChIKeyDPWVUMOBCHKBEZ-UHFFFAOYSA-N
XLogP3.94
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-ethoxyanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate
CID 9140411
[2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(4-tert-butylphenoxy)acetate
CID 9328142
N-(2-ethoxyphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
CID 17341028
N-(2-ethoxyphenyl)-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide
CID 1183545
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-(4-tert-butylphenoxy)acetate
CID 7855530
N-(2-ethoxyphenyl)-2-(4-fluorophenoxy)acetamide
CID 727173
N-(2-ethoxyphenyl)-2-(4-phenylphenoxy)acetamide
CID 7919529
[2-(2-ethoxyanilino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
CID 7191567
[2-(2-ethoxyanilino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate
CID 9317763
[2-(2-ethoxyanilino)-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate
CID 7997830
N-[2-[(2S)-butan-2-yl]phenyl]-2-(4-tert-butylphenoxy)acetamide
CID 959855
N-(2-ethoxyphenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 723516

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethoxyanilino)-2-oxoethyl] 2-(4-tert-butylphenoxy)acetate?
The IUPAC name of [2-(2-ethoxyanilino)-2-oxoethyl] 2-(4-tert-butylphenoxy)acetate (CID 9328128) is [2-(2-ethoxyanilino)-2-oxoethyl] 2-(4-tert-butylphenoxy)acetate.
What is the SMILES notation for [2-(2-ethoxyanilino)-2-oxoethyl] 2-(4-tert-butylphenoxy)acetate?
The canonical SMILES for [2-(2-ethoxyanilino)-2-oxoethyl] 2-(4-tert-butylphenoxy)acetate is CCOc1ccccc1NC(=O)COC(=O)COc1ccc(C(C)(C)C)cc1.
What is the InChIKey of [2-(2-ethoxyanilino)-2-oxoethyl] 2-(4-tert-butylphenoxy)acetate?
The InChIKey is DPWVUMOBCHKBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO5/c1-5-26-19-9-7-6-8-18(19)23-20(24)14-28-21(25)15-27-17-12-10-16(11-13-17)22(2,3)4/h6-13H,5,14-15H2,1-4H3,(H,23,24).
What are the key properties of [2-(2-ethoxyanilino)-2-oxoethyl] 2-(4-tert-butylphenoxy)acetate?
[2-(2-ethoxyanilino)-2-oxoethyl] 2-(4-tert-butylphenoxy)acetate has a molecular weight of 385.46 g/mol, XLogP of 3.94, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethoxyanilino)-2-oxoethyl] 2-(4-tert-butylphenoxy)acetate is sourced from PubChem (CID 9328128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).