ethyl 2-(2-methoxy-4,6-dimethylanilino)-2-methylpropanoate

C15H23NO3 — CID 115128687

IUPACethyl 2-(2-methoxy-4,6-dimethylanilino)-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)Nc1c(C)cc(C)cc1OC
InChIInChI=1S/C15H23NO3/c1-7-19-14(17)15(4,5)16-13-11(3)8-10(2)9-12(13)18-6/h8-9,16H,7H2,1-6H3
InChIKeyPPNRNPFJYQZUSC-UHFFFAOYSA-N
MW265.35 g/mol
LogP3.07
Rot. Bonds5

About ethyl 2-(2-methoxy-4,6-dimethylanilino)-2-methylpropanoate

ethyl 2-(2-methoxy-4,6-dimethylanilino)-2-methylpropanoate (PubChem CID 115128687) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is ethyl 2-(2-methoxy-4,6-dimethylanilino)-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 2-(2-methoxy-4,6-dimethylanilino)-2-methylpropanoate
PubChem CID115128687
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Nameethyl 2-(2-methoxy-4,6-dimethylanilino)-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)Nc1c(C)cc(C)cc1OC
InChIInChI=1S/C15H23NO3/c1-7-19-14(17)15(4,5)16-13-11(3)8-10(2)9-12(13)18-6/h8-9,16H,7H2,1-6H3
InChIKeyPPNRNPFJYQZUSC-UHFFFAOYSA-N
XLogP3.07
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(2-methoxy-4,6-dimethylphenyl)methanediamine
CID 115225448
3-amino-4-(2-methoxy-4,6-dimethylanilino)-4-oxobutanoic acid
CID 115181240
3-hydroxy-4-(2-methoxy-4,6-dimethylanilino)butanoic acid
CID 115122881
ethyl 3-(2-methoxy-4,6-dimethylphenyl)propanoate
CID 106681194
3-(dipropylamino)-N-(2-methoxy-4,6-dimethylphenyl)propanamide
CID 20522202
(E)-4-(2-methoxy-4,6-dimethylanilino)but-2-enoic acid
CID 115236912
ethyl 2-amino-2-(2-methoxy-3,5-dimethylphenyl)propanoate
CID 5239443
N-(2-chloroethyl)-2-methoxy-4,6-dimethylaniline
CID 115214635
ethyl 2-amino-2-(2-methoxy-4,6-dimethylphenyl)acetate
CID 3904081
1-N-(2-methoxy-4,6-dimethylphenyl)pentane-1,4-diamine
CID 115203619
2-amino-2-methyl-N-(2,4,6-trimethylphenyl)butanamide
CID 79789969
ethyl (3R)-3-amino-3-(2,6-dimethoxy-4-methylphenyl)-2,2-difluoropropanoate;hydrochloride
CID 171244939

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-methoxy-4,6-dimethylanilino)-2-methylpropanoate?
The IUPAC name of ethyl 2-(2-methoxy-4,6-dimethylanilino)-2-methylpropanoate (CID 115128687) is ethyl 2-(2-methoxy-4,6-dimethylanilino)-2-methylpropanoate.
What is the SMILES notation for ethyl 2-(2-methoxy-4,6-dimethylanilino)-2-methylpropanoate?
The canonical SMILES for ethyl 2-(2-methoxy-4,6-dimethylanilino)-2-methylpropanoate is CCOC(=O)C(C)(C)Nc1c(C)cc(C)cc1OC.
What is the InChIKey of ethyl 2-(2-methoxy-4,6-dimethylanilino)-2-methylpropanoate?
The InChIKey is PPNRNPFJYQZUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-7-19-14(17)15(4,5)16-13-11(3)8-10(2)9-12(13)18-6/h8-9,16H,7H2,1-6H3.
What are the key properties of ethyl 2-(2-methoxy-4,6-dimethylanilino)-2-methylpropanoate?
ethyl 2-(2-methoxy-4,6-dimethylanilino)-2-methylpropanoate has a molecular weight of 265.35 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-methoxy-4,6-dimethylanilino)-2-methylpropanoate is sourced from PubChem (CID 115128687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).