methyl 4-(4-methoxy-N,3-dimethylanilino)-4-oxobutanoate

C14H19NO4 — CID 115174603

IUPACmethyl 4-(4-methoxy-N,3-dimethylanilino)-4-oxobutanoate
SMILESCOC(=O)CCC(=O)N(C)c1ccc(OC)c(C)c1
InChIInChI=1S/C14H19NO4/c1-10-9-11(5-6-12(10)18-3)15(2)13(16)7-8-14(17)19-4/h5-6,9H,7-8H2,1-4H3
InChIKeyZFTCCCUWMMKCHX-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.92
Rot. Bonds5

About methyl 4-(4-methoxy-N,3-dimethylanilino)-4-oxobutanoate

methyl 4-(4-methoxy-N,3-dimethylanilino)-4-oxobutanoate (PubChem CID 115174603) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl 4-(4-methoxy-N,3-dimethylanilino)-4-oxobutanoate.

Molecular Properties

Compound Namemethyl 4-(4-methoxy-N,3-dimethylanilino)-4-oxobutanoate
PubChem CID115174603
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Namemethyl 4-(4-methoxy-N,3-dimethylanilino)-4-oxobutanoate
SMILESCOC(=O)CCC(=O)N(C)c1ccc(OC)c(C)c1
InChIInChI=1S/C14H19NO4/c1-10-9-11(5-6-12(10)18-3)15(2)13(16)7-8-14(17)19-4/h5-6,9H,7-8H2,1-4H3
InChIKeyZFTCCCUWMMKCHX-UHFFFAOYSA-N
XLogP1.92
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(4-fluoro-N,3-dimethylanilino)-4-oxobutanoate
CID 115174602
methyl 3-(3,4-dimethoxy-N-methylanilino)-3-oxopropanoate
CID 115174204
2-hydroxy-N-(4-methoxy-3-methylphenyl)-N-methylpropanamide
CID 115140469
4-(3-bromo-4-methoxy-N-methylanilino)-4-oxobutanoic acid
CID 115163676
N-(4-ethoxy-3-methylphenyl)-4-hydroxy-N-methylbutanamide
CID 115162888
ethyl 3-oxo-3-(N,3,4-trimethylanilino)propanoate
CID 115138487
2-(aminomethyl)-N-(4-methoxy-3-methylphenyl)-N-methylbutanamide
CID 115186880
N-(3,4-dimethylphenyl)-N-methyl-3-oxobutanamide
CID 115176241
N-(4-methoxy-3,5-dimethylphenyl)-N-methyl-4-oxopentanamide
CID 115176827
N-(4-ethoxy-3-methylphenyl)-N-methyl-2-oxoacetamide
CID 115166060
N-(3,4-dimethoxyphenyl)-N,3,3-trimethylbutanamide
CID 110425453
methyl 3-(4-methoxy-3-methylphenyl)-4-methylpentanoate
CID 112508803

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-methoxy-N,3-dimethylanilino)-4-oxobutanoate?
The IUPAC name of methyl 4-(4-methoxy-N,3-dimethylanilino)-4-oxobutanoate (CID 115174603) is methyl 4-(4-methoxy-N,3-dimethylanilino)-4-oxobutanoate.
What is the SMILES notation for methyl 4-(4-methoxy-N,3-dimethylanilino)-4-oxobutanoate?
The canonical SMILES for methyl 4-(4-methoxy-N,3-dimethylanilino)-4-oxobutanoate is COC(=O)CCC(=O)N(C)c1ccc(OC)c(C)c1.
What is the InChIKey of methyl 4-(4-methoxy-N,3-dimethylanilino)-4-oxobutanoate?
The InChIKey is ZFTCCCUWMMKCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-10-9-11(5-6-12(10)18-3)15(2)13(16)7-8-14(17)19-4/h5-6,9H,7-8H2,1-4H3.
What are the key properties of methyl 4-(4-methoxy-N,3-dimethylanilino)-4-oxobutanoate?
methyl 4-(4-methoxy-N,3-dimethylanilino)-4-oxobutanoate has a molecular weight of 265.31 g/mol, XLogP of 1.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-methoxy-N,3-dimethylanilino)-4-oxobutanoate is sourced from PubChem (CID 115174603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).