[2-(4-methoxyphenyl)-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate

C22H25NO5 — CID 7854515

IUPAC[2-(4-methoxyphenyl)-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
SMILESCOc1ccc(C(=O)COC(=O)CNC(=O)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C22H25NO5/c1-22(2,3)17-9-5-16(6-10-17)21(26)23-13-20(25)28-14-19(24)15-7-11-18(27-4)12-8-15/h5-12H,13-14H2,1-4H3,(H,23,26)
InChIKeyQRYDKIKDLBJXEI-UHFFFAOYSA-N
MW383.44 g/mol
LogP3.15
Rot. Bonds7

About [2-(4-methoxyphenyl)-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate

[2-(4-methoxyphenyl)-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate (PubChem CID 7854515) has the molecular formula C22H25NO5 and a molecular weight of 383.44 g/mol. Its IUPAC name is [2-(4-methoxyphenyl)-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-(4-methoxyphenyl)-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
PubChem CID7854515
Molecular FormulaC22H25NO5
Molecular Weight383.44 g/mol
Exact Mass383.17
IUPAC Name[2-(4-methoxyphenyl)-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
SMILESCOc1ccc(C(=O)COC(=O)CNC(=O)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C22H25NO5/c1-22(2,3)17-9-5-16(6-10-17)21(26)23-13-20(25)28-14-19(24)15-7-11-18(27-4)12-8-15/h5-12H,13-14H2,1-4H3,(H,23,26)
InChIKeyQRYDKIKDLBJXEI-UHFFFAOYSA-N
XLogP3.15
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3,4-difluorophenyl)-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
CID 8788019
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 7544118
(2-oxo-2-thiophen-2-ylethyl) 2-[(4-methoxybenzoyl)amino]acetate
CID 8788738
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 7854460
[2-(4-tert-butylphenyl)-2-oxoethyl] 2-[(2-methylbenzoyl)amino]acetate
CID 18289243
[2-(4-tert-butylphenyl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
CID 9269914
tert-butyl 2-[(4-methoxybenzoyl)amino]acetate
CID 135045716
[2-(4-tert-butylphenyl)-2-oxoethyl] 2-(1,3-benzodioxole-5-carbonylamino)acetate
CID 7883000
phenacyl 2-[(3-methoxybenzoyl)amino]acetate
CID 2165686
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 7854462
[2-(4-fluorophenyl)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884853
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
CID 2116305

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyphenyl)-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate?
The IUPAC name of [2-(4-methoxyphenyl)-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate (CID 7854515) is [2-(4-methoxyphenyl)-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate.
What is the SMILES notation for [2-(4-methoxyphenyl)-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate?
The canonical SMILES for [2-(4-methoxyphenyl)-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate is COc1ccc(C(=O)COC(=O)CNC(=O)c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of [2-(4-methoxyphenyl)-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate?
The InChIKey is QRYDKIKDLBJXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO5/c1-22(2,3)17-9-5-16(6-10-17)21(26)23-13-20(25)28-14-19(24)15-7-11-18(27-4)12-8-15/h5-12H,13-14H2,1-4H3,(H,23,26).
What are the key properties of [2-(4-methoxyphenyl)-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate?
[2-(4-methoxyphenyl)-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate has a molecular weight of 383.44 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyphenyl)-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate is sourced from PubChem (CID 7854515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).