ethyl 4-methoxy-2-(4-methoxyanilino)-3-methylbutanoate

C15H23NO4 — CID 116502005

IUPACethyl 4-methoxy-2-(4-methoxyanilino)-3-methylbutanoate
SMILESCCOC(=O)C(Nc1ccc(OC)cc1)C(C)COC
InChIInChI=1S/C15H23NO4/c1-5-20-15(17)14(11(2)10-18-3)16-12-6-8-13(19-4)9-7-12/h6-9,11,14,16H,5,10H2,1-4H3
InChIKeyUDSSGAIUNJSZFI-UHFFFAOYSA-N
MW281.35 g/mol
LogP2.32
Rot. Bonds8

About ethyl 4-methoxy-2-(4-methoxyanilino)-3-methylbutanoate

ethyl 4-methoxy-2-(4-methoxyanilino)-3-methylbutanoate (PubChem CID 116502005) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is ethyl 4-methoxy-2-(4-methoxyanilino)-3-methylbutanoate.

Molecular Properties

Compound Nameethyl 4-methoxy-2-(4-methoxyanilino)-3-methylbutanoate
PubChem CID116502005
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Nameethyl 4-methoxy-2-(4-methoxyanilino)-3-methylbutanoate
SMILESCCOC(=O)C(Nc1ccc(OC)cc1)C(C)COC
InChIInChI=1S/C15H23NO4/c1-5-20-15(17)14(11(2)10-18-3)16-12-6-8-13(19-4)9-7-12/h6-9,11,14,16H,5,10H2,1-4H3
InChIKeyUDSSGAIUNJSZFI-UHFFFAOYSA-N
XLogP2.32
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(4-methoxyanilino)-3-methylbutanoate
CID 10753251
ethyl 2-(4-bromoanilino)-4-methoxy-3-methylbutanoate
CID 116502034
ethyl (2S,3R,4S)-4-hydroxy-2-(4-methoxyanilino)-3-methylpentanoate
CID 11335018
ethyl (2S,3R)-2-(4-methoxyanilino)-3-nitrobutanoate
CID 134918536
ethyl (2S,3R)-3,5-dihydroxy-2-(4-methoxyanilino)-4-oxopentanoate
CID 24805796
ethyl 2-(3-chloroanilino)-4-methoxy-3-methylbutanoate
CID 116502017
methyl 2-(4-chloroanilino)-4-methoxy-3-methylbutanoate
CID 116502045
ethyl (2R,3R)-3-acetyl-6-chloro-2-(4-methoxyanilino)hexanoate
CID 90747812
ethyl 3-benzoyl-2-(4-methoxyanilino)-4-methylpentanoate
CID 75046363
ethyl 2-(4-bromoanilino)-3-methylpentanoate
CID 61319158
ethyl (2S,3R,4S)-3-formyl-2-(4-methoxyanilino)-4,8-dimethylnon-7-enoate
CID 154720263
ethyl 2-(3-methoxyanilino)-3-methylbutanoate
CID 61317894

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methoxy-2-(4-methoxyanilino)-3-methylbutanoate?
The IUPAC name of ethyl 4-methoxy-2-(4-methoxyanilino)-3-methylbutanoate (CID 116502005) is ethyl 4-methoxy-2-(4-methoxyanilino)-3-methylbutanoate.
What is the SMILES notation for ethyl 4-methoxy-2-(4-methoxyanilino)-3-methylbutanoate?
The canonical SMILES for ethyl 4-methoxy-2-(4-methoxyanilino)-3-methylbutanoate is CCOC(=O)C(Nc1ccc(OC)cc1)C(C)COC.
What is the InChIKey of ethyl 4-methoxy-2-(4-methoxyanilino)-3-methylbutanoate?
The InChIKey is UDSSGAIUNJSZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-5-20-15(17)14(11(2)10-18-3)16-12-6-8-13(19-4)9-7-12/h6-9,11,14,16H,5,10H2,1-4H3.
What are the key properties of ethyl 4-methoxy-2-(4-methoxyanilino)-3-methylbutanoate?
ethyl 4-methoxy-2-(4-methoxyanilino)-3-methylbutanoate has a molecular weight of 281.35 g/mol, XLogP of 2.32, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methoxy-2-(4-methoxyanilino)-3-methylbutanoate is sourced from PubChem (CID 116502005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).