[2-(3,4-diethoxyanilino)-2-oxoethyl] 3-[(4-tert-butylbenzoyl)amino]propanoate

C26H34N2O6 — CID 30029948

IUPAC[2-(3,4-diethoxyanilino)-2-oxoethyl] 3-[(4-tert-butylbenzoyl)amino]propanoate
SMILESCCOc1ccc(NC(=O)COC(=O)CCNC(=O)c2ccc(C(C)(C)C)cc2)cc1OCC
InChIInChI=1S/C26H34N2O6/c1-6-32-21-13-12-20(16-22(21)33-7-2)28-23(29)17-34-24(30)14-15-27-25(31)18-8-10-19(11-9-18)26(3,4)5/h8-13,16H,6-7,14-15,17H2,1-5H3,(H,27,31)(H,28,29)
InChIKeyVDVRZVRWELSKJA-UHFFFAOYSA-N
MW470.57 g/mol
LogP4.08
Rot. Bonds11

About [2-(3,4-diethoxyanilino)-2-oxoethyl] 3-[(4-tert-butylbenzoyl)amino]propanoate

[2-(3,4-diethoxyanilino)-2-oxoethyl] 3-[(4-tert-butylbenzoyl)amino]propanoate (PubChem CID 30029948) has the molecular formula C26H34N2O6 and a molecular weight of 470.57 g/mol. Its IUPAC name is [2-(3,4-diethoxyanilino)-2-oxoethyl] 3-[(4-tert-butylbenzoyl)amino]propanoate.

Molecular Properties

Compound Name[2-(3,4-diethoxyanilino)-2-oxoethyl] 3-[(4-tert-butylbenzoyl)amino]propanoate
PubChem CID30029948
Molecular FormulaC26H34N2O6
Molecular Weight470.57 g/mol
Exact Mass470.24
IUPAC Name[2-(3,4-diethoxyanilino)-2-oxoethyl] 3-[(4-tert-butylbenzoyl)amino]propanoate
SMILESCCOc1ccc(NC(=O)COC(=O)CCNC(=O)c2ccc(C(C)(C)C)cc2)cc1OCC
InChIInChI=1S/C26H34N2O6/c1-6-32-21-13-12-20(16-22(21)33-7-2)28-23(29)17-34-24(30)14-15-27-25(31)18-8-10-19(11-9-18)26(3,4)5/h8-13,16H,6-7,14-15,17H2,1-5H3,(H,27,31)(H,28,29)
InChIKeyVDVRZVRWELSKJA-UHFFFAOYSA-N
XLogP4.08
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(3,4-diethoxyanilino)-2-oxoethyl] 3-acetamidopropanoate
CID 7197601
4-tert-butyl-N-[3-[3-(dimethylsulfamoyl)-4-ethoxyanilino]-3-oxopropyl]benzamide
CID 26421713
[2-(3,4-diethoxyanilino)-2-oxoethyl] 2-ethoxyacetate
CID 8709525
[2-(3,4-diethoxyanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 8580497
[2-oxo-2-(4-phenylanilino)ethyl] 2-[(3,4-diethoxybenzoyl)amino]acetate
CID 29197914
[2-(3,4-diethoxyanilino)-2-oxoethyl] 4-(4-acetylphenoxy)butanoate
CID 4842334
[2-(4-tert-butylanilino)-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate
CID 7827656
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]propanoate
CID 7827357
[2-(2-ethoxyanilino)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]propanoate
CID 7827367
[2-(4-tert-butylanilino)-2-oxoethyl] 3-[(2,4-difluorobenzoyl)amino]propanoate
CID 30315978
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-[(3,4-diethoxybenzoyl)amino]acetate
CID 29155297
methyl 2-[4-[3-[(4-tert-butylbenzoyl)amino]propanoylamino]phenoxy]acetate
CID 55709187

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-diethoxyanilino)-2-oxoethyl] 3-[(4-tert-butylbenzoyl)amino]propanoate?
The IUPAC name of [2-(3,4-diethoxyanilino)-2-oxoethyl] 3-[(4-tert-butylbenzoyl)amino]propanoate (CID 30029948) is [2-(3,4-diethoxyanilino)-2-oxoethyl] 3-[(4-tert-butylbenzoyl)amino]propanoate.
What is the SMILES notation for [2-(3,4-diethoxyanilino)-2-oxoethyl] 3-[(4-tert-butylbenzoyl)amino]propanoate?
The canonical SMILES for [2-(3,4-diethoxyanilino)-2-oxoethyl] 3-[(4-tert-butylbenzoyl)amino]propanoate is CCOc1ccc(NC(=O)COC(=O)CCNC(=O)c2ccc(C(C)(C)C)cc2)cc1OCC.
What is the InChIKey of [2-(3,4-diethoxyanilino)-2-oxoethyl] 3-[(4-tert-butylbenzoyl)amino]propanoate?
The InChIKey is VDVRZVRWELSKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O6/c1-6-32-21-13-12-20(16-22(21)33-7-2)28-23(29)17-34-24(30)14-15-27-25(31)18-8-10-19(11-9-18)26(3,4)5/h8-13,16H,6-7,14-15,17H2,1-5H3,(H,27,31)(H,28,29).
What are the key properties of [2-(3,4-diethoxyanilino)-2-oxoethyl] 3-[(4-tert-butylbenzoyl)amino]propanoate?
[2-(3,4-diethoxyanilino)-2-oxoethyl] 3-[(4-tert-butylbenzoyl)amino]propanoate has a molecular weight of 470.57 g/mol, XLogP of 4.08, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-diethoxyanilino)-2-oxoethyl] 3-[(4-tert-butylbenzoyl)amino]propanoate is sourced from PubChem (CID 30029948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).