[2-(4-tert-butylphenyl)-2-oxoethyl] 2-[(2-methylbenzoyl)amino]acetate

C22H25NO4 — CID 18289243

IUPAC[2-(4-tert-butylphenyl)-2-oxoethyl] 2-[(2-methylbenzoyl)amino]acetate
SMILESCc1ccccc1C(=O)NCC(=O)OCC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C22H25NO4/c1-15-7-5-6-8-18(15)21(26)23-13-20(25)27-14-19(24)16-9-11-17(12-10-16)22(2,3)4/h5-12H,13-14H2,1-4H3,(H,23,26)
InChIKeyDGYINJPPDRPVAA-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.45
Rot. Bonds6

About [2-(4-tert-butylphenyl)-2-oxoethyl] 2-[(2-methylbenzoyl)amino]acetate

[2-(4-tert-butylphenyl)-2-oxoethyl] 2-[(2-methylbenzoyl)amino]acetate (PubChem CID 18289243) has the molecular formula C22H25NO4 and a molecular weight of 367.45 g/mol. Its IUPAC name is [2-(4-tert-butylphenyl)-2-oxoethyl] 2-[(2-methylbenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-(4-tert-butylphenyl)-2-oxoethyl] 2-[(2-methylbenzoyl)amino]acetate
PubChem CID18289243
Molecular FormulaC22H25NO4
Molecular Weight367.45 g/mol
Exact Mass367.18
IUPAC Name[2-(4-tert-butylphenyl)-2-oxoethyl] 2-[(2-methylbenzoyl)amino]acetate
SMILESCc1ccccc1C(=O)NCC(=O)OCC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C22H25NO4/c1-15-7-5-6-8-18(15)21(26)23-13-20(25)27-14-19(24)16-9-11-17(12-10-16)22(2,3)4/h5-12H,13-14H2,1-4H3,(H,23,26)
InChIKeyDGYINJPPDRPVAA-UHFFFAOYSA-N
XLogP3.45
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-tert-butylphenyl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
CID 9269914
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-[(2-methylbenzoyl)amino]acetate
CID 46795940
[2-(3-methoxyphenyl)-2-oxoethyl] 2-[(2-methylbenzoyl)amino]acetate
CID 18283692
[2-(4-methoxyphenyl)-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 7854515
[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-[(2-methylbenzoyl)amino]acetate
CID 46796053
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 7854460
phenacyl 2-[(2-fluorobenzoyl)amino]acetate
CID 2357812
[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-benzamidoacetate
CID 2625404
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 7854462
ethyl 2-[[2-[2-[(4-tert-butylbenzoyl)amino]acetyl]oxyacetyl]amino]benzoate
CID 16533021
[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-[(4-methylbenzoyl)amino]acetate
CID 42007014
N-[2-(4-fluorophenyl)-2-oxoethyl]-2-methylbenzamide
CID 94280945

Frequently Asked Questions

What is the IUPAC name of [2-(4-tert-butylphenyl)-2-oxoethyl] 2-[(2-methylbenzoyl)amino]acetate?
The IUPAC name of [2-(4-tert-butylphenyl)-2-oxoethyl] 2-[(2-methylbenzoyl)amino]acetate (CID 18289243) is [2-(4-tert-butylphenyl)-2-oxoethyl] 2-[(2-methylbenzoyl)amino]acetate.
What is the SMILES notation for [2-(4-tert-butylphenyl)-2-oxoethyl] 2-[(2-methylbenzoyl)amino]acetate?
The canonical SMILES for [2-(4-tert-butylphenyl)-2-oxoethyl] 2-[(2-methylbenzoyl)amino]acetate is Cc1ccccc1C(=O)NCC(=O)OCC(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of [2-(4-tert-butylphenyl)-2-oxoethyl] 2-[(2-methylbenzoyl)amino]acetate?
The InChIKey is DGYINJPPDRPVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO4/c1-15-7-5-6-8-18(15)21(26)23-13-20(25)27-14-19(24)16-9-11-17(12-10-16)22(2,3)4/h5-12H,13-14H2,1-4H3,(H,23,26).
What are the key properties of [2-(4-tert-butylphenyl)-2-oxoethyl] 2-[(2-methylbenzoyl)amino]acetate?
[2-(4-tert-butylphenyl)-2-oxoethyl] 2-[(2-methylbenzoyl)amino]acetate has a molecular weight of 367.45 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-tert-butylphenyl)-2-oxoethyl] 2-[(2-methylbenzoyl)amino]acetate is sourced from PubChem (CID 18289243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).