ethyl 2-[[tert-butyl-(4-fluorobenzoyl)amino]-(4-fluorobenzoyl)amino]acetate

C22H24F2N2O4 — CID 11796267

IUPACethyl 2-[[tert-butyl-(4-fluorobenzoyl)amino]-(4-fluorobenzoyl)amino]acetate
SMILESCCOC(=O)CN(C(=O)c1ccc(F)cc1)N(C(=O)c1ccc(F)cc1)C(C)(C)C
InChIInChI=1S/C22H24F2N2O4/c1-5-30-19(27)14-25(20(28)15-6-10-17(23)11-7-15)26(22(2,3)4)21(29)16-8-12-18(24)13-9-16/h6-13H,5,14H2,1-4H3
InChIKeyDMDJFWZXESHCQY-UHFFFAOYSA-N
MW418.44 g/mol
LogP3.83
Rot. Bonds5

About ethyl 2-[[tert-butyl-(4-fluorobenzoyl)amino]-(4-fluorobenzoyl)amino]acetate

ethyl 2-[[tert-butyl-(4-fluorobenzoyl)amino]-(4-fluorobenzoyl)amino]acetate (PubChem CID 11796267) has the molecular formula C22H24F2N2O4 and a molecular weight of 418.44 g/mol. Its IUPAC name is ethyl 2-[[tert-butyl-(4-fluorobenzoyl)amino]-(4-fluorobenzoyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[tert-butyl-(4-fluorobenzoyl)amino]-(4-fluorobenzoyl)amino]acetate
PubChem CID11796267
Molecular FormulaC22H24F2N2O4
Molecular Weight418.44 g/mol
Exact Mass418.17
IUPAC Nameethyl 2-[[tert-butyl-(4-fluorobenzoyl)amino]-(4-fluorobenzoyl)amino]acetate
SMILESCCOC(=O)CN(C(=O)c1ccc(F)cc1)N(C(=O)c1ccc(F)cc1)C(C)(C)C
InChIInChI=1S/C22H24F2N2O4/c1-5-30-19(27)14-25(20(28)15-6-10-17(23)11-7-15)26(22(2,3)4)21(29)16-8-12-18(24)13-9-16/h6-13H,5,14H2,1-4H3
InChIKeyDMDJFWZXESHCQY-UHFFFAOYSA-N
XLogP3.83
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.44
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-Oxo-2-(3-phenylpropylamino)ethyl] 2-benzamidoacetate
CID 3448368
CID 139035059
CID 139035059
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] (2S)-2-benzamido-3-methylbutanoate
CID 2358073
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] (2S)-2-benzamido-3-methylbutanoate
CID 2358436
Ethyl 2-(benzoylamino)-3,3,3-trifluoro-2-[(4-fluorobenzyl)amino]propanoate
CID 4662113
[2-[Cyclohexyl(methyl)amino]-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
CID 16533888
3-[2-[(2-Fluorobenzoyl)amino]acetyl]oxypropyl 2-[(2-fluorobenzoyl)amino]acetate
CID 18286992
Methyl 2-[[2-[[2-[(2-methoxy-2-oxo-ethyl)carbamoyl]phenyl]diselanyl]benzoyl]amino]acetate
CID 101536682
Ethyl 2-[[2-[[2-[(2-ethoxy-2-oxo-ethyl)carbamoyl]phenyl]diselanyl]benzoyl]amino]acetate
CID 127042577
2-[[2-(tert-butylamino)-1-(3,4-difluorophenyl)-2-oxoethyl]-methylamino]ethyl (E)-4-(4-fluorophenyl)-4-oxobut-2-enoate
CID 162671233
[2-[(2-Methylcyclohexyl)amino]-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate
CID 3369615
[2-(2,6-Dimethylpiperidin-1-yl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
CID 4858451

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[tert-butyl-(4-fluorobenzoyl)amino]-(4-fluorobenzoyl)amino]acetate?
The IUPAC name of ethyl 2-[[tert-butyl-(4-fluorobenzoyl)amino]-(4-fluorobenzoyl)amino]acetate (CID 11796267) is ethyl 2-[[tert-butyl-(4-fluorobenzoyl)amino]-(4-fluorobenzoyl)amino]acetate.
What is the SMILES notation for ethyl 2-[[tert-butyl-(4-fluorobenzoyl)amino]-(4-fluorobenzoyl)amino]acetate?
The canonical SMILES for ethyl 2-[[tert-butyl-(4-fluorobenzoyl)amino]-(4-fluorobenzoyl)amino]acetate is CCOC(=O)CN(C(=O)c1ccc(F)cc1)N(C(=O)c1ccc(F)cc1)C(C)(C)C.
What is the InChIKey of ethyl 2-[[tert-butyl-(4-fluorobenzoyl)amino]-(4-fluorobenzoyl)amino]acetate?
The InChIKey is DMDJFWZXESHCQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N2O4/c1-5-30-19(27)14-25(20(28)15-6-10-17(23)11-7-15)26(22(2,3)4)21(29)16-8-12-18(24)13-9-16/h6-13H,5,14H2,1-4H3.
What are the key properties of ethyl 2-[[tert-butyl-(4-fluorobenzoyl)amino]-(4-fluorobenzoyl)amino]acetate?
ethyl 2-[[tert-butyl-(4-fluorobenzoyl)amino]-(4-fluorobenzoyl)amino]acetate has a molecular weight of 418.44 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[tert-butyl-(4-fluorobenzoyl)amino]-(4-fluorobenzoyl)amino]acetate is sourced from PubChem (CID 11796267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).