methyl 3-[[2-(4-methoxyphenoxy)acetyl]amino]-4-methylbenzoate

C18H19NO5 — CID 806985

IUPACmethyl 3-[[2-(4-methoxyphenoxy)acetyl]amino]-4-methylbenzoate
SMILESCOC(=O)c1ccc(C)c(NC(=O)COc2ccc(OC)cc2)c1
InChIInChI=1S/C18H19NO5/c1-12-4-5-13(18(21)23-3)10-16(12)19-17(20)11-24-15-8-6-14(22-2)7-9-15/h4-10H,11H2,1-3H3,(H,19,20)
InChIKeyITJPVPYOPGEAEI-UHFFFAOYSA-N
MW329.35 g/mol
LogP2.81
Rot. Bonds6

About methyl 3-[[2-(4-methoxyphenoxy)acetyl]amino]-4-methylbenzoate

methyl 3-[[2-(4-methoxyphenoxy)acetyl]amino]-4-methylbenzoate (PubChem CID 806985) has the molecular formula C18H19NO5 and a molecular weight of 329.35 g/mol. Its IUPAC name is methyl 3-[[2-(4-methoxyphenoxy)acetyl]amino]-4-methylbenzoate.

Molecular Properties

Compound Namemethyl 3-[[2-(4-methoxyphenoxy)acetyl]amino]-4-methylbenzoate
PubChem CID806985
Molecular FormulaC18H19NO5
Molecular Weight329.35 g/mol
Exact Mass329.13
IUPAC Namemethyl 3-[[2-(4-methoxyphenoxy)acetyl]amino]-4-methylbenzoate
SMILESCOC(=O)c1ccc(C)c(NC(=O)COc2ccc(OC)cc2)c1
InChIInChI=1S/C18H19NO5/c1-12-4-5-13(18(21)23-3)10-16(12)19-17(20)11-24-15-8-6-14(22-2)7-9-15/h4-10H,11H2,1-3H3,(H,19,20)
InChIKeyITJPVPYOPGEAEI-UHFFFAOYSA-N
XLogP2.81
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[[2-[4-(1,3-dithian-2-yl)phenoxy]acetyl]amino]-4-methylbenzoate
CID 26285619
methyl 4-[2-(2-methyl-5-nitroanilino)-2-oxoethoxy]benzoate
CID 7965140
methyl 4-methyl-3-[[2-[2-(4-propan-2-ylphenoxy)acetyl]oxyacetyl]amino]benzoate
CID 8598157
methyl 4-chloro-3-[[2-(3,4-dimethylphenoxy)acetyl]amino]benzoate
CID 8910012
methyl 3-[[2-(4-ethoxyphenyl)acetyl]amino]-4-methylbenzoate
CID 17191288
methyl 3-[[2-(2-ethoxyphenoxy)acetyl]amino]-4-methylbenzoate
CID 7840872
4-methyl-3-[(2-phenoxyacetyl)amino]benzoic acid
CID 18070473
methyl 4-[2-(3,4-dimethylanilino)-2-oxoethoxy]benzoate
CID 7128255
N-(2,5-dimethylphenyl)-2-(7-methoxynaphthalen-2-yl)oxyacetamide
CID 7652754
N-(2,4-dimethylphenyl)-2-(4-methoxyphenoxy)acetamide
CID 625191
methyl 3-[[2-(4-methoxyphenoxy)acetyl]amino]-4-(4-methylpiperazin-4-ium-1-yl)benzoate
CID 7092448
methyl 4-methyl-3-(4-phenoxybutanoylamino)benzoate
CID 2673216

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(4-methoxyphenoxy)acetyl]amino]-4-methylbenzoate?
The IUPAC name of methyl 3-[[2-(4-methoxyphenoxy)acetyl]amino]-4-methylbenzoate (CID 806985) is methyl 3-[[2-(4-methoxyphenoxy)acetyl]amino]-4-methylbenzoate.
What is the SMILES notation for methyl 3-[[2-(4-methoxyphenoxy)acetyl]amino]-4-methylbenzoate?
The canonical SMILES for methyl 3-[[2-(4-methoxyphenoxy)acetyl]amino]-4-methylbenzoate is COC(=O)c1ccc(C)c(NC(=O)COc2ccc(OC)cc2)c1.
What is the InChIKey of methyl 3-[[2-(4-methoxyphenoxy)acetyl]amino]-4-methylbenzoate?
The InChIKey is ITJPVPYOPGEAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO5/c1-12-4-5-13(18(21)23-3)10-16(12)19-17(20)11-24-15-8-6-14(22-2)7-9-15/h4-10H,11H2,1-3H3,(H,19,20).
What are the key properties of methyl 3-[[2-(4-methoxyphenoxy)acetyl]amino]-4-methylbenzoate?
methyl 3-[[2-(4-methoxyphenoxy)acetyl]amino]-4-methylbenzoate has a molecular weight of 329.35 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(4-methoxyphenoxy)acetyl]amino]-4-methylbenzoate is sourced from PubChem (CID 806985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).