[2-(2-tert-butylanilino)-2-oxoethyl] 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate

C28H30N2O6 — CID 42967141

IUPAC[2-(2-tert-butylanilino)-2-oxoethyl] 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate
SMILESCOc1cccc(NC(=O)COc2ccc(C(=O)OCC(=O)Nc3ccccc3C(C)(C)C)cc2)c1
InChIInChI=1S/C28H30N2O6/c1-28(2,3)23-10-5-6-11-24(23)30-26(32)18-36-27(33)19-12-14-21(15-13-19)35-17-25(31)29-20-8-7-9-22(16-20)34-4/h5-16H,17-18H2,1-4H3,(H,29,31)(H,30,32)
InChIKeyYCBAVZWWJIROLS-UHFFFAOYSA-N
MW490.56 g/mol
LogP4.81
Rot. Bonds9

About [2-(2-tert-butylanilino)-2-oxoethyl] 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate

[2-(2-tert-butylanilino)-2-oxoethyl] 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate (PubChem CID 42967141) has the molecular formula C28H30N2O6 and a molecular weight of 490.56 g/mol. Its IUPAC name is [2-(2-tert-butylanilino)-2-oxoethyl] 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate.

Molecular Properties

Compound Name[2-(2-tert-butylanilino)-2-oxoethyl] 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate
PubChem CID42967141
Molecular FormulaC28H30N2O6
Molecular Weight490.56 g/mol
Exact Mass490.21
IUPAC Name[2-(2-tert-butylanilino)-2-oxoethyl] 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate
SMILESCOc1cccc(NC(=O)COc2ccc(C(=O)OCC(=O)Nc3ccccc3C(C)(C)C)cc2)c1
InChIInChI=1S/C28H30N2O6/c1-28(2,3)23-10-5-6-11-24(23)30-26(32)18-36-27(33)19-12-14-21(15-13-19)35-17-25(31)29-20-8-7-9-22(16-20)34-4/h5-16H,17-18H2,1-4H3,(H,29,31)(H,30,32)
InChIKeyYCBAVZWWJIROLS-UHFFFAOYSA-N
XLogP4.81
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.56
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-oxo-2-(2-propan-2-ylanilino)ethyl] 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate
CID 16538998
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate
CID 16538970
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate
CID 29169567
[2-oxo-2-(2-phenylethylamino)ethyl] 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate
CID 3453906
(2-benzamido-2-oxoethyl) 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate
CID 16538923
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate
CID 16539004
4-O-[2-(3-methoxyanilino)-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 7296644
[2-[4-(dimethylamino)anilino]-2-oxoethyl] 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate
CID 16538978
2-(4-tert-butylphenoxy)-N-(3-methoxyphenyl)acetamide
CID 710366
[2-(cyclopentylamino)-2-oxoethyl] 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate
CID 16539000
ethyl N-[3-[2-(2-tert-butylanilino)-2-oxoethoxy]phenyl]carbamate
CID 29183042
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate
CID 55319130

Frequently Asked Questions

What is the IUPAC name of [2-(2-tert-butylanilino)-2-oxoethyl] 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate?
The IUPAC name of [2-(2-tert-butylanilino)-2-oxoethyl] 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate (CID 42967141) is [2-(2-tert-butylanilino)-2-oxoethyl] 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate.
What is the SMILES notation for [2-(2-tert-butylanilino)-2-oxoethyl] 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate?
The canonical SMILES for [2-(2-tert-butylanilino)-2-oxoethyl] 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate is COc1cccc(NC(=O)COc2ccc(C(=O)OCC(=O)Nc3ccccc3C(C)(C)C)cc2)c1.
What is the InChIKey of [2-(2-tert-butylanilino)-2-oxoethyl] 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate?
The InChIKey is YCBAVZWWJIROLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O6/c1-28(2,3)23-10-5-6-11-24(23)30-26(32)18-36-27(33)19-12-14-21(15-13-19)35-17-25(31)29-20-8-7-9-22(16-20)34-4/h5-16H,17-18H2,1-4H3,(H,29,31)(H,30,32).
What are the key properties of [2-(2-tert-butylanilino)-2-oxoethyl] 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate?
[2-(2-tert-butylanilino)-2-oxoethyl] 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate has a molecular weight of 490.56 g/mol, XLogP of 4.81, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-tert-butylanilino)-2-oxoethyl] 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate is sourced from PubChem (CID 42967141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).