methyl 2-(4-methoxy-N,3,5-trimethylanilino)-2-methylpropanoate

C15H23NO3 — CID 115128406

IUPACmethyl 2-(4-methoxy-N,3,5-trimethylanilino)-2-methylpropanoate
SMILESCOC(=O)C(C)(C)N(C)c1cc(C)c(OC)c(C)c1
InChIInChI=1S/C15H23NO3/c1-10-8-12(9-11(2)13(10)18-6)16(5)15(3,4)14(17)19-7/h8-9H,1-7H3
InChIKeyKMXJRXCXRQIYFA-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.70
Rot. Bonds4

About methyl 2-(4-methoxy-N,3,5-trimethylanilino)-2-methylpropanoate

methyl 2-(4-methoxy-N,3,5-trimethylanilino)-2-methylpropanoate (PubChem CID 115128406) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is methyl 2-(4-methoxy-N,3,5-trimethylanilino)-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-(4-methoxy-N,3,5-trimethylanilino)-2-methylpropanoate
PubChem CID115128406
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Namemethyl 2-(4-methoxy-N,3,5-trimethylanilino)-2-methylpropanoate
SMILESCOC(=O)C(C)(C)N(C)c1cc(C)c(OC)c(C)c1
InChIInChI=1S/C15H23NO3/c1-10-8-12(9-11(2)13(10)18-6)16(5)15(3,4)14(17)19-7/h8-9H,1-7H3
InChIKeyKMXJRXCXRQIYFA-UHFFFAOYSA-N
XLogP2.70
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.70
H-Bond Donors ≤ 50
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

3-(4-methoxy-N,3,5-trimethylanilino)-3-methylbutanoic acid
CID 117042389
methyl 2-methyl-2-(N,2,4-trimethylanilino)propanoate
CID 115128341
methyl 2-(3,4-difluoro-N-methylanilino)-2-methylpropanoate
CID 115128358
methyl 2-(3-bromo-4-methoxy-N-methylanilino)-2-methylpropanoate
CID 115128349
1-(4-methoxy-3,5-dimethylphenyl)-1-methylurea
CID 115168292
methyl 2-[2,3-dihydro-1-benzofuran-5-yl(methyl)amino]-2-methylpropanoate
CID 115128392
methyl 2-(4-fluoro-2-methoxy-3,5-dimethylphenyl)-2-methylpropanoate
CID 144982422
4-(dimethylamino)-4-(4-methoxy-3,5-dimethylphenyl)butan-2-one
CID 116910577
N-(4-methoxy-3,5-dimethylphenyl)-2,2-dimethylpropanamide
CID 22905642
N-(4-methoxy-3,5-dimethylphenyl)-N-methyl-4-oxopentanamide
CID 115176827
methyl 2-[(2,5-dimethylphenyl)methyl-methylamino]-2-methylpropanoate
CID 115128462
methyl 2-(2-methoxy-3,4,6-trimethylphenyl)-2-methylpropanoate
CID 116963118

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-methoxy-N,3,5-trimethylanilino)-2-methylpropanoate?
The IUPAC name of methyl 2-(4-methoxy-N,3,5-trimethylanilino)-2-methylpropanoate (CID 115128406) is methyl 2-(4-methoxy-N,3,5-trimethylanilino)-2-methylpropanoate.
What is the SMILES notation for methyl 2-(4-methoxy-N,3,5-trimethylanilino)-2-methylpropanoate?
The canonical SMILES for methyl 2-(4-methoxy-N,3,5-trimethylanilino)-2-methylpropanoate is COC(=O)C(C)(C)N(C)c1cc(C)c(OC)c(C)c1.
What is the InChIKey of methyl 2-(4-methoxy-N,3,5-trimethylanilino)-2-methylpropanoate?
The InChIKey is KMXJRXCXRQIYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-10-8-12(9-11(2)13(10)18-6)16(5)15(3,4)14(17)19-7/h8-9H,1-7H3.
What are the key properties of methyl 2-(4-methoxy-N,3,5-trimethylanilino)-2-methylpropanoate?
methyl 2-(4-methoxy-N,3,5-trimethylanilino)-2-methylpropanoate has a molecular weight of 265.35 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-methoxy-N,3,5-trimethylanilino)-2-methylpropanoate is sourced from PubChem (CID 115128406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).