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

C13H19NO3 — CID 115232672

IUPACmethyl 2-(4-methoxy-2,3,5-trimethylanilino)acetate
SMILESCOC(=O)CNc1cc(C)c(OC)c(C)c1C
InChIInChI=1S/C13H19NO3/c1-8-6-11(14-7-12(15)16-4)9(2)10(3)13(8)17-5/h6,14H,7H2,1-5H3
InChIKeyMPMJPODHAUHBAQ-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.21
Rot. Bonds4

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

methyl 2-(4-methoxy-2,3,5-trimethylanilino)acetate (PubChem CID 115232672) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is methyl 2-(4-methoxy-2,3,5-trimethylanilino)acetate.

Molecular Properties

Compound Namemethyl 2-(4-methoxy-2,3,5-trimethylanilino)acetate
PubChem CID115232672
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Namemethyl 2-(4-methoxy-2,3,5-trimethylanilino)acetate
SMILESCOC(=O)CNc1cc(C)c(OC)c(C)c1C
InChIInChI=1S/C13H19NO3/c1-8-6-11(14-7-12(15)16-4)9(2)10(3)13(8)17-5/h6,14H,7H2,1-5H3
InChIKeyMPMJPODHAUHBAQ-UHFFFAOYSA-N
XLogP2.21
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.21
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 2-(2-methoxy-3,5-dimethylanilino)acetate
CID 115232671
methyl 2-(4-methoxy-3,5-dimethylanilino)acetate
CID 115232720
4-methoxy-N-(methoxymethyl)-2,3,5-trimethylaniline
CID 115258230
1-N-(4-methoxy-2,3,5-trimethylphenyl)-2-methylpropane-1,2-diamine
CID 115135651
2-amino-3-(4-methoxy-2,3,5-trimethylanilino)propanoic acid
CID 115240470
2-(4-methoxy-2,3,5-trimethylanilino)-2-methylpropanoic acid
CID 115127764
3-amino-4-(4-methoxy-2,3,5-trimethylanilino)butanoic acid
CID 115241472
3-(4-methoxy-2,3,5-trimethylanilino)propane-1-thiol
CID 115224602
N-(4-methoxy-2,3,5-trimethylphenyl)-3-(methylamino)propanamide
CID 96676162
methyl 2-(2,4-dimethylanilino)acetate
CID 28564487
2-(hydroxymethyl)-N-(4-methoxy-2,3,5-trimethylphenyl)butanamide
CID 115186351
N-cyclopropyl-N'-(4-methoxy-2,3,5-trimethylphenyl)ethane-1,2-diamine
CID 115206741

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-methoxy-2,3,5-trimethylanilino)acetate?
The IUPAC name of methyl 2-(4-methoxy-2,3,5-trimethylanilino)acetate (CID 115232672) is methyl 2-(4-methoxy-2,3,5-trimethylanilino)acetate.
What is the SMILES notation for methyl 2-(4-methoxy-2,3,5-trimethylanilino)acetate?
The canonical SMILES for methyl 2-(4-methoxy-2,3,5-trimethylanilino)acetate is COC(=O)CNc1cc(C)c(OC)c(C)c1C.
What is the InChIKey of methyl 2-(4-methoxy-2,3,5-trimethylanilino)acetate?
The InChIKey is MPMJPODHAUHBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-8-6-11(14-7-12(15)16-4)9(2)10(3)13(8)17-5/h6,14H,7H2,1-5H3.
What are the key properties of methyl 2-(4-methoxy-2,3,5-trimethylanilino)acetate?
methyl 2-(4-methoxy-2,3,5-trimethylanilino)acetate has a molecular weight of 237.30 g/mol, XLogP of 2.21, 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-2,3,5-trimethylanilino)acetate is sourced from PubChem (CID 115232672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).