methyl 2-(4-methoxy-3,5-dimethylanilino)acetate

C12H17NO3 — CID 115232720

IUPACmethyl 2-(4-methoxy-3,5-dimethylanilino)acetate
SMILESCOC(=O)CNc1cc(C)c(OC)c(C)c1
InChIInChI=1S/C12H17NO3/c1-8-5-10(13-7-11(14)15-3)6-9(2)12(8)16-4/h5-6,13H,7H2,1-4H3
InChIKeyBNEXJEKMCFRSFK-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.90
Rot. Bonds4

About methyl 2-(4-methoxy-3,5-dimethylanilino)acetate

methyl 2-(4-methoxy-3,5-dimethylanilino)acetate (PubChem CID 115232720) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is methyl 2-(4-methoxy-3,5-dimethylanilino)acetate.

Molecular Properties

Compound Namemethyl 2-(4-methoxy-3,5-dimethylanilino)acetate
PubChem CID115232720
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Namemethyl 2-(4-methoxy-3,5-dimethylanilino)acetate
SMILESCOC(=O)CNc1cc(C)c(OC)c(C)c1
InChIInChI=1S/C12H17NO3/c1-8-5-10(13-7-11(14)15-3)6-9(2)12(8)16-4/h5-6,13H,7H2,1-4H3
InChIKeyBNEXJEKMCFRSFK-UHFFFAOYSA-N
XLogP1.90
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.90
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

methyl 3-(4-methoxy-3,5-dimethylanilino)-3-oxopropanoate
CID 115174171
methyl 2-(4-methoxy-2,3,5-trimethylanilino)acetate
CID 115232672
methyl 2-(2-methoxy-3,5-dimethylanilino)acetate
CID 115232671
methyl 3-hydroxy-4-(4-methoxy-3,5-dimethylanilino)butanoate
CID 115123244
methyl 2-(4-amino-3-methylanilino)acetate
CID 43436219
methyl 2-(3,5-dichloroanilino)acetate
CID 28576225
N'-(4-methoxy-3,5-dimethylphenyl)methanediamine
CID 115225476
2-(4-methoxy-3,5-dimethylanilino)acetaldehyde
CID 115222701
N-(4-methoxy-3,5-dimethylphenyl)-2,2-dimethylpropanamide
CID 22905642
methyl 2-(4-ethoxy-3-methylanilino)acetate
CID 115232665
1-[(4-methoxy-3,5-dimethylanilino)methyl]cyclopropane-1-carboxylic acid
CID 115242776
methyl 2-(3-bromo-5-methoxyanilino)acetate
CID 82867874

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-methoxy-3,5-dimethylanilino)acetate?
The IUPAC name of methyl 2-(4-methoxy-3,5-dimethylanilino)acetate (CID 115232720) is methyl 2-(4-methoxy-3,5-dimethylanilino)acetate.
What is the SMILES notation for methyl 2-(4-methoxy-3,5-dimethylanilino)acetate?
The canonical SMILES for methyl 2-(4-methoxy-3,5-dimethylanilino)acetate is COC(=O)CNc1cc(C)c(OC)c(C)c1.
What is the InChIKey of methyl 2-(4-methoxy-3,5-dimethylanilino)acetate?
The InChIKey is BNEXJEKMCFRSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-8-5-10(13-7-11(14)15-3)6-9(2)12(8)16-4/h5-6,13H,7H2,1-4H3.
What are the key properties of methyl 2-(4-methoxy-3,5-dimethylanilino)acetate?
methyl 2-(4-methoxy-3,5-dimethylanilino)acetate has a molecular weight of 223.27 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-methoxy-3,5-dimethylanilino)acetate is sourced from PubChem (CID 115232720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).