methyl 4-[[[2-(3,4-dimethylphenoxy)acetyl]amino]methyl]benzoate

C19H21NO4 — CID 30789870

IUPACmethyl 4-[[[2-(3,4-dimethylphenoxy)acetyl]amino]methyl]benzoate
SMILESCOC(=O)c1ccc(CNC(=O)COc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C19H21NO4/c1-13-4-9-17(10-14(13)2)24-12-18(21)20-11-15-5-7-16(8-6-15)19(22)23-3/h4-10H,11-12H2,1-3H3,(H,20,21)
InChIKeyAAPMXJSDORQEHZ-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.79
Rot. Bonds6

About methyl 4-[[[2-(3,4-dimethylphenoxy)acetyl]amino]methyl]benzoate

methyl 4-[[[2-(3,4-dimethylphenoxy)acetyl]amino]methyl]benzoate (PubChem CID 30789870) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is methyl 4-[[[2-(3,4-dimethylphenoxy)acetyl]amino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[[2-(3,4-dimethylphenoxy)acetyl]amino]methyl]benzoate
PubChem CID30789870
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Namemethyl 4-[[[2-(3,4-dimethylphenoxy)acetyl]amino]methyl]benzoate
SMILESCOC(=O)c1ccc(CNC(=O)COc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C19H21NO4/c1-13-4-9-17(10-14(13)2)24-12-18(21)20-11-15-5-7-16(8-6-15)19(22)23-3/h4-10H,11-12H2,1-3H3,(H,20,21)
InChIKeyAAPMXJSDORQEHZ-UHFFFAOYSA-N
XLogP2.79
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[[[2-(4-carbamoylphenoxy)acetyl]amino]methyl]benzoate
CID 7931566
methyl 4-[[[2-(3-chlorophenoxy)acetyl]amino]methyl]benzoate
CID 7688183
2-cyano-N-[4-[[[2-(3,4-dimethylphenoxy)acetyl]amino]methyl]phenyl]acetamide
CID 108923167
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3,4-dimethylbenzoate
CID 2563668
N-[4-[[[2-(3,4-dimethylphenoxy)acetyl]amino]methyl]phenyl]-2,2,2-trifluoroacetamide
CID 108933708
methyl 4-[2-(3,4-dimethylanilino)-2-oxoethoxy]benzoate
CID 7128255
methyl 4-[[[2-(3,4-dimethylphenoxy)acetyl]hydrazinylidene]methyl]benzoate
CID 4266785
methyl N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]carbamate
CID 108572647
2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-methylacetamide
CID 17404287
[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 2,5-dimethylbenzoate
CID 8535459
2-(3,4-dimethylphenoxy)-N-[8-[[2-(3,4-dimethylphenoxy)acetyl]amino]octyl]acetamide
CID 17233359
methyl 4-[2-[[2-(4-methoxyphenoxy)acetyl]amino]ethyl]benzoate
CID 36774109

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[[2-(3,4-dimethylphenoxy)acetyl]amino]methyl]benzoate?
The IUPAC name of methyl 4-[[[2-(3,4-dimethylphenoxy)acetyl]amino]methyl]benzoate (CID 30789870) is methyl 4-[[[2-(3,4-dimethylphenoxy)acetyl]amino]methyl]benzoate.
What is the SMILES notation for methyl 4-[[[2-(3,4-dimethylphenoxy)acetyl]amino]methyl]benzoate?
The canonical SMILES for methyl 4-[[[2-(3,4-dimethylphenoxy)acetyl]amino]methyl]benzoate is COC(=O)c1ccc(CNC(=O)COc2ccc(C)c(C)c2)cc1.
What is the InChIKey of methyl 4-[[[2-(3,4-dimethylphenoxy)acetyl]amino]methyl]benzoate?
The InChIKey is AAPMXJSDORQEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-13-4-9-17(10-14(13)2)24-12-18(21)20-11-15-5-7-16(8-6-15)19(22)23-3/h4-10H,11-12H2,1-3H3,(H,20,21).
What are the key properties of methyl 4-[[[2-(3,4-dimethylphenoxy)acetyl]amino]methyl]benzoate?
methyl 4-[[[2-(3,4-dimethylphenoxy)acetyl]amino]methyl]benzoate has a molecular weight of 327.38 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[[2-(3,4-dimethylphenoxy)acetyl]amino]methyl]benzoate is sourced from PubChem (CID 30789870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).