[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate

C23H29NO5 — CID 8700972

IUPAC[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate
SMILESCOc1ccc(CCNC(=O)COC(=O)COc2ccccc2C(C)(C)C)cc1
InChIInChI=1S/C23H29NO5/c1-23(2,3)19-7-5-6-8-20(19)28-16-22(26)29-15-21(25)24-14-13-17-9-11-18(27-4)12-10-17/h5-12H,13-16H2,1-4H3,(H,24,25)
InChIKeyZUMMWYIAQBEBRW-UHFFFAOYSA-N
MW399.49 g/mol
LogP3.27
Rot. Bonds9

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

[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate (PubChem CID 8700972) has the molecular formula C23H29NO5 and a molecular weight of 399.49 g/mol. Its IUPAC name is [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate.

Molecular Properties

Compound Name[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate
PubChem CID8700972
Molecular FormulaC23H29NO5
Molecular Weight399.49 g/mol
Exact Mass399.20
IUPAC Name[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate
SMILESCOc1ccc(CCNC(=O)COC(=O)COc2ccccc2C(C)(C)C)cc1
InChIInChI=1S/C23H29NO5/c1-23(2,3)19-7-5-6-8-20(19)28-16-22(26)29-15-21(25)24-14-13-17-9-11-18(27-4)12-10-17/h5-12H,13-16H2,1-4H3,(H,24,25)
InChIKeyZUMMWYIAQBEBRW-UHFFFAOYSA-N
XLogP3.27
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-tert-butylphenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 7658830
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 8913578
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 7846555
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(4-phenylphenoxy)acetate
CID 9140643
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
CID 8524322
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 9140316
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate
CID 9140053
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate
CID 40692952
N-[2-(4-methoxyphenyl)ethyl]-2-naphthalen-1-yloxyacetamide
CID 748766
2-(2-bromophenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 7847687
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3,3-diphenylpropanoate
CID 8752538
[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-(2-tert-butylphenoxy)acetate
CID 8701349

Frequently Asked Questions

What is the IUPAC name of [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate?
The IUPAC name of [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate (CID 8700972) is [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate.
What is the SMILES notation for [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate?
The canonical SMILES for [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate is COc1ccc(CCNC(=O)COC(=O)COc2ccccc2C(C)(C)C)cc1.
What is the InChIKey of [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate?
The InChIKey is ZUMMWYIAQBEBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO5/c1-23(2,3)19-7-5-6-8-20(19)28-16-22(26)29-15-21(25)24-14-13-17-9-11-18(27-4)12-10-17/h5-12H,13-16H2,1-4H3,(H,24,25).
What are the key properties of [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate?
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate has a molecular weight of 399.49 g/mol, XLogP of 3.27, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate is sourced from PubChem (CID 8700972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).