ethyl 3-methoxy-2-(2-methoxyanilino)-2-methylpropanoate

C14H21NO4 — CID 62536843

IUPACethyl 3-methoxy-2-(2-methoxyanilino)-2-methylpropanoate
SMILESCCOC(=O)C(C)(COC)Nc1ccccc1OC
InChIInChI=1S/C14H21NO4/c1-5-19-13(16)14(2,10-17-3)15-11-8-6-7-9-12(11)18-4/h6-9,15H,5,10H2,1-4H3
InChIKeyJIWZSPKKKNLIMF-UHFFFAOYSA-N
MW267.32 g/mol
LogP2.08
Rot. Bonds7

About ethyl 3-methoxy-2-(2-methoxyanilino)-2-methylpropanoate

ethyl 3-methoxy-2-(2-methoxyanilino)-2-methylpropanoate (PubChem CID 62536843) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is ethyl 3-methoxy-2-(2-methoxyanilino)-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 3-methoxy-2-(2-methoxyanilino)-2-methylpropanoate
PubChem CID62536843
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Nameethyl 3-methoxy-2-(2-methoxyanilino)-2-methylpropanoate
SMILESCCOC(=O)C(C)(COC)Nc1ccccc1OC
InChIInChI=1S/C14H21NO4/c1-5-19-13(16)14(2,10-17-3)15-11-8-6-7-9-12(11)18-4/h6-9,15H,5,10H2,1-4H3
InChIKeyJIWZSPKKKNLIMF-UHFFFAOYSA-N
XLogP2.08
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-ethyl-2-(2-methoxyanilino)butanoate
CID 54890504
ethyl 2-(benzylamino)-3-methoxy-2-methylpropanoate
CID 62534926
ethyl (2R)-2-acetamido-3,3,3-trifluoro-2-(2-methoxyanilino)propanoate
CID 7037440
2-(2-methoxyanilino)-2,4-dimethylpentanamide
CID 54892038
ethyl 2-hydroxy-2-(2-methoxyphenyl)propanoate
CID 62214840
ethyl (2R)-2-hydroxy-2-(2-methoxyphenyl)propanoate
CID 121014752
methyl 2-ethyl-2-(2-methoxyanilino)butanoate
CID 54890267
triethyl (2-methoxyphenyl)methanetricarboxylate
CID 15732418
4,4-dimethoxy-2-(2-methoxyanilino)-2-methylbutanamide
CID 66181212
ethyl 2-(2-methoxyanilino)-3,3-dimethylbutanoate
CID 61326624
ethyl 2-(2-methoxyphenyl)-2-(propan-2-ylamino)propanoate
CID 54918153
2-ethyl-2-(2-methoxyanilino)pentanoic acid
CID 114079646

Frequently Asked Questions

What is the IUPAC name of ethyl 3-methoxy-2-(2-methoxyanilino)-2-methylpropanoate?
The IUPAC name of ethyl 3-methoxy-2-(2-methoxyanilino)-2-methylpropanoate (CID 62536843) is ethyl 3-methoxy-2-(2-methoxyanilino)-2-methylpropanoate.
What is the SMILES notation for ethyl 3-methoxy-2-(2-methoxyanilino)-2-methylpropanoate?
The canonical SMILES for ethyl 3-methoxy-2-(2-methoxyanilino)-2-methylpropanoate is CCOC(=O)C(C)(COC)Nc1ccccc1OC.
What is the InChIKey of ethyl 3-methoxy-2-(2-methoxyanilino)-2-methylpropanoate?
The InChIKey is JIWZSPKKKNLIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-5-19-13(16)14(2,10-17-3)15-11-8-6-7-9-12(11)18-4/h6-9,15H,5,10H2,1-4H3.
What are the key properties of ethyl 3-methoxy-2-(2-methoxyanilino)-2-methylpropanoate?
ethyl 3-methoxy-2-(2-methoxyanilino)-2-methylpropanoate has a molecular weight of 267.32 g/mol, XLogP of 2.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methoxy-2-(2-methoxyanilino)-2-methylpropanoate is sourced from PubChem (CID 62536843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).