ethyl 2-(4-methoxy-2-methylanilino)pentanoate

C15H23NO3 — CID 78964712

IUPACethyl 2-(4-methoxy-2-methylanilino)pentanoate
SMILESCCCC(Nc1ccc(OC)cc1C)C(=O)OCC
InChIInChI=1S/C15H23NO3/c1-5-7-14(15(17)19-6-2)16-13-9-8-12(18-4)10-11(13)3/h8-10,14,16H,5-7H2,1-4H3
InChIKeyQRNAGYWFNMMGOW-UHFFFAOYSA-N
MW265.35 g/mol
LogP3.15
Rot. Bonds7

About ethyl 2-(4-methoxy-2-methylanilino)pentanoate

ethyl 2-(4-methoxy-2-methylanilino)pentanoate (PubChem CID 78964712) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is ethyl 2-(4-methoxy-2-methylanilino)pentanoate.

Molecular Properties

Compound Nameethyl 2-(4-methoxy-2-methylanilino)pentanoate
PubChem CID78964712
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Nameethyl 2-(4-methoxy-2-methylanilino)pentanoate
SMILESCCCC(Nc1ccc(OC)cc1C)C(=O)OCC
InChIInChI=1S/C15H23NO3/c1-5-7-14(15(17)19-6-2)16-13-9-8-12(18-4)10-11(13)3/h8-10,14,16H,5-7H2,1-4H3
InChIKeyQRNAGYWFNMMGOW-UHFFFAOYSA-N
XLogP3.15
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl (2R,3R)-3-hydroxy-2-(4-methoxy-2-methylanilino)-4-(2-methoxyphenyl)-4-oxobutanoate
CID 101225618
2-(5-methoxy-2-methylanilino)butanamide
CID 167770796
ethyl 2-(4-methoxy-3-methylanilino)pentanoate
CID 79040257
2-amino-N-(4-methoxy-2-methylphenyl)hexanamide
CID 62871713
ethyl 2-(4-methoxyanilino)hexanoate
CID 61352956
methyl 3-(4-methoxy-2-methylanilino)butanoate
CID 62873162
ethyl 2-(3-bromo-5-methoxyanilino)pentanoate
CID 83041235
2-(2-chloro-5-methoxyanilino)pentanoic acid
CID 83040688
ethyl 2-[4-bromo-2-(trifluoromethyl)anilino]pentanoate
CID 83035937
3-amino-N-(4-methoxy-2-methylphenyl)-3-sulfanylidenepropanamide
CID 62872080
ethyl 2-(2-bromoanilino)pentanoate
CID 54890587
ethyl (3S)-3-amino-2-fluoro-3-(4-methoxy-2-methylphenyl)propanoate
CID 171250977

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-methoxy-2-methylanilino)pentanoate?
The IUPAC name of ethyl 2-(4-methoxy-2-methylanilino)pentanoate (CID 78964712) is ethyl 2-(4-methoxy-2-methylanilino)pentanoate.
What is the SMILES notation for ethyl 2-(4-methoxy-2-methylanilino)pentanoate?
The canonical SMILES for ethyl 2-(4-methoxy-2-methylanilino)pentanoate is CCCC(Nc1ccc(OC)cc1C)C(=O)OCC.
What is the InChIKey of ethyl 2-(4-methoxy-2-methylanilino)pentanoate?
The InChIKey is QRNAGYWFNMMGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-5-7-14(15(17)19-6-2)16-13-9-8-12(18-4)10-11(13)3/h8-10,14,16H,5-7H2,1-4H3.
What are the key properties of ethyl 2-(4-methoxy-2-methylanilino)pentanoate?
ethyl 2-(4-methoxy-2-methylanilino)pentanoate has a molecular weight of 265.35 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-methoxy-2-methylanilino)pentanoate is sourced from PubChem (CID 78964712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).