methyl 2-[3-methyl-4-[[2-(4-methylanilino)-2-oxoethyl]amino]phenoxy]acetate

C19H22N2O4 — CID 60538938

IUPACmethyl 2-[3-methyl-4-[[2-(4-methylanilino)-2-oxoethyl]amino]phenoxy]acetate
SMILESCOC(=O)COc1ccc(NCC(=O)Nc2ccc(C)cc2)c(C)c1
InChIInChI=1S/C19H22N2O4/c1-13-4-6-15(7-5-13)21-18(22)11-20-17-9-8-16(10-14(17)2)25-12-19(23)24-3/h4-10,20H,11-12H2,1-3H3,(H,21,22)
InChIKeyKIPBFMZTUZUXDE-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.91
Rot. Bonds7

About methyl 2-[3-methyl-4-[[2-(4-methylanilino)-2-oxoethyl]amino]phenoxy]acetate

methyl 2-[3-methyl-4-[[2-(4-methylanilino)-2-oxoethyl]amino]phenoxy]acetate (PubChem CID 60538938) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is methyl 2-[3-methyl-4-[[2-(4-methylanilino)-2-oxoethyl]amino]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[3-methyl-4-[[2-(4-methylanilino)-2-oxoethyl]amino]phenoxy]acetate
PubChem CID60538938
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Namemethyl 2-[3-methyl-4-[[2-(4-methylanilino)-2-oxoethyl]amino]phenoxy]acetate
SMILESCOC(=O)COc1ccc(NCC(=O)Nc2ccc(C)cc2)c(C)c1
InChIInChI=1S/C19H22N2O4/c1-13-4-6-15(7-5-13)21-18(22)11-20-17-9-8-16(10-14(17)2)25-12-19(23)24-3/h4-10,20H,11-12H2,1-3H3,(H,21,22)
InChIKeyKIPBFMZTUZUXDE-UHFFFAOYSA-N
XLogP2.91
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze methyl 2-[3-methyl-4-[[2-(4-methylanilino)-2-oxoethyl]amino]phenoxy]acetate with MolForge

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Related Compounds

methyl 2-[4-[(2-anilino-2-oxoethyl)amino]-3-methylphenoxy]acetate
CID 60538614
methyl 2-[4-[[2-(2-acetylanilino)-2-oxoethyl]amino]-3-methylphenoxy]acetate
CID 47064323
2-(2,4-dimethylanilino)-N-(4-ethoxyphenyl)acetamide
CID 9081080
N-(4-bromophenyl)-2-(4-methoxy-2-methylanilino)acetamide
CID 62871519
methyl 2-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenoxy]acetate
CID 894367
methyl 2-[4-[[2-(3,5-dimethylphenoxy)acetyl]amino]phenoxy]acetate
CID 2975656
2-(4-methoxy-2-methylanilino)-N-(3-methylphenyl)acetamide
CID 62872071
2-(4-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 681889
2-(2,4-dimethylanilino)-N-(4-methylsulfonylphenyl)acetamide
CID 42026326
methyl 2-[4-(4-aminobutanoylamino)-3-methylphenoxy]acetate
CID 119299848
methyl 2-[3-methyl-4-(pyridin-3-ylmethylamino)phenoxy]acetate
CID 126832263
2-(2-methylanilino)-N-(4-methylphenyl)acetamide
CID 7636705

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-methyl-4-[[2-(4-methylanilino)-2-oxoethyl]amino]phenoxy]acetate?
The IUPAC name of methyl 2-[3-methyl-4-[[2-(4-methylanilino)-2-oxoethyl]amino]phenoxy]acetate (CID 60538938) is methyl 2-[3-methyl-4-[[2-(4-methylanilino)-2-oxoethyl]amino]phenoxy]acetate.
What is the SMILES notation for methyl 2-[3-methyl-4-[[2-(4-methylanilino)-2-oxoethyl]amino]phenoxy]acetate?
The canonical SMILES for methyl 2-[3-methyl-4-[[2-(4-methylanilino)-2-oxoethyl]amino]phenoxy]acetate is COC(=O)COc1ccc(NCC(=O)Nc2ccc(C)cc2)c(C)c1.
What is the InChIKey of methyl 2-[3-methyl-4-[[2-(4-methylanilino)-2-oxoethyl]amino]phenoxy]acetate?
The InChIKey is KIPBFMZTUZUXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-13-4-6-15(7-5-13)21-18(22)11-20-17-9-8-16(10-14(17)2)25-12-19(23)24-3/h4-10,20H,11-12H2,1-3H3,(H,21,22).
What are the key properties of methyl 2-[3-methyl-4-[[2-(4-methylanilino)-2-oxoethyl]amino]phenoxy]acetate?
methyl 2-[3-methyl-4-[[2-(4-methylanilino)-2-oxoethyl]amino]phenoxy]acetate has a molecular weight of 342.40 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-methyl-4-[[2-(4-methylanilino)-2-oxoethyl]amino]phenoxy]acetate is sourced from PubChem (CID 60538938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).