[2-(4-tert-butylanilino)-2-oxoethyl] 3-[(2,4-difluorobenzoyl)amino]propanoate

C22H24F2N2O4 — CID 30315978

IUPAC[2-(4-tert-butylanilino)-2-oxoethyl] 3-[(2,4-difluorobenzoyl)amino]propanoate
SMILESCC(C)(C)c1ccc(NC(=O)COC(=O)CCNC(=O)c2ccc(F)cc2F)cc1
InChIInChI=1S/C22H24F2N2O4/c1-22(2,3)14-4-7-16(8-5-14)26-19(27)13-30-20(28)10-11-25-21(29)17-9-6-15(23)12-18(17)24/h4-9,12H,10-11,13H2,1-3H3,(H,25,29)(H,26,27)
InChIKeyZBPGJRWYLFDRDO-UHFFFAOYSA-N
MW418.44 g/mol
LogP3.56
Rot. Bonds7

About [2-(4-tert-butylanilino)-2-oxoethyl] 3-[(2,4-difluorobenzoyl)amino]propanoate

[2-(4-tert-butylanilino)-2-oxoethyl] 3-[(2,4-difluorobenzoyl)amino]propanoate (PubChem CID 30315978) has the molecular formula C22H24F2N2O4 and a molecular weight of 418.44 g/mol. Its IUPAC name is [2-(4-tert-butylanilino)-2-oxoethyl] 3-[(2,4-difluorobenzoyl)amino]propanoate.

Molecular Properties

Compound Name[2-(4-tert-butylanilino)-2-oxoethyl] 3-[(2,4-difluorobenzoyl)amino]propanoate
PubChem CID30315978
Molecular FormulaC22H24F2N2O4
Molecular Weight418.44 g/mol
Exact Mass418.17
IUPAC Name[2-(4-tert-butylanilino)-2-oxoethyl] 3-[(2,4-difluorobenzoyl)amino]propanoate
SMILESCC(C)(C)c1ccc(NC(=O)COC(=O)CCNC(=O)c2ccc(F)cc2F)cc1
InChIInChI=1S/C22H24F2N2O4/c1-22(2,3)14-4-7-16(8-5-14)26-19(27)13-30-20(28)10-11-25-21(29)17-9-6-15(23)12-18(17)24/h4-9,12H,10-11,13H2,1-3H3,(H,25,29)(H,26,27)
InChIKeyZBPGJRWYLFDRDO-UHFFFAOYSA-N
XLogP3.56
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.44
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-(4-tert-butylanilino)-2-oxoethyl] 3-[(2,4-difluorobenzoyl)amino]propanoate with MolForge

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Related Compounds

[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 3-[(2,4-difluorobenzoyl)amino]propanoate
CID 46816347
[2-(3-iodoanilino)-2-oxoethyl] 3-[(2,4-difluorobenzoyl)amino]propanoate
CID 30316908
[2-(4-tert-butylanilino)-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate
CID 7827656
[2-(2-methoxyanilino)-2-oxoethyl] 3-[(2,4-difluorobenzoyl)amino]propanoate
CID 30316161
[2-(4-methoxyanilino)-2-oxoethyl] 2-[(2,4-difluorobenzoyl)amino]acetate
CID 30312687
[2-oxo-2-(pentan-3-ylamino)ethyl] 3-[(2,4-difluorobenzoyl)amino]propanoate
CID 46816277
(4-tert-butyl-2-methylphenyl) 3-[(2,4-difluorobenzoyl)amino]propanoate
CID 24657081
[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 3-[(2,4-difluorobenzoyl)amino]propanoate
CID 34715649
[2-(4-fluoroanilino)-2-oxoethyl] 3-(4-tert-butylphenoxy)propanoate
CID 7856024
[2-(3,4-diethoxyanilino)-2-oxoethyl] 3-[(4-tert-butylbenzoyl)amino]propanoate
CID 30029948
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-[(2,4-difluorobenzoyl)amino]propanoate
CID 30317027
[2-(4-tert-butylanilino)-2-oxoethyl] 2,6-difluorobenzoate
CID 7725764

Frequently Asked Questions

What is the IUPAC name of [2-(4-tert-butylanilino)-2-oxoethyl] 3-[(2,4-difluorobenzoyl)amino]propanoate?
The IUPAC name of [2-(4-tert-butylanilino)-2-oxoethyl] 3-[(2,4-difluorobenzoyl)amino]propanoate (CID 30315978) is [2-(4-tert-butylanilino)-2-oxoethyl] 3-[(2,4-difluorobenzoyl)amino]propanoate.
What is the SMILES notation for [2-(4-tert-butylanilino)-2-oxoethyl] 3-[(2,4-difluorobenzoyl)amino]propanoate?
The canonical SMILES for [2-(4-tert-butylanilino)-2-oxoethyl] 3-[(2,4-difluorobenzoyl)amino]propanoate is CC(C)(C)c1ccc(NC(=O)COC(=O)CCNC(=O)c2ccc(F)cc2F)cc1.
What is the InChIKey of [2-(4-tert-butylanilino)-2-oxoethyl] 3-[(2,4-difluorobenzoyl)amino]propanoate?
The InChIKey is ZBPGJRWYLFDRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N2O4/c1-22(2,3)14-4-7-16(8-5-14)26-19(27)13-30-20(28)10-11-25-21(29)17-9-6-15(23)12-18(17)24/h4-9,12H,10-11,13H2,1-3H3,(H,25,29)(H,26,27).
What are the key properties of [2-(4-tert-butylanilino)-2-oxoethyl] 3-[(2,4-difluorobenzoyl)amino]propanoate?
[2-(4-tert-butylanilino)-2-oxoethyl] 3-[(2,4-difluorobenzoyl)amino]propanoate has a molecular weight of 418.44 g/mol, XLogP of 3.56, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-tert-butylanilino)-2-oxoethyl] 3-[(2,4-difluorobenzoyl)amino]propanoate is sourced from PubChem (CID 30315978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).