methyl 4,5-dimethoxy-2-[[2-(4-methylphenoxy)acetyl]amino]benzoate

C19H21NO6 — CID 8801664

IUPACmethyl 4,5-dimethoxy-2-[[2-(4-methylphenoxy)acetyl]amino]benzoate
SMILESCOC(=O)c1cc(OC)c(OC)cc1NC(=O)COc1ccc(C)cc1
InChIInChI=1S/C19H21NO6/c1-12-5-7-13(8-6-12)26-11-18(21)20-15-10-17(24-3)16(23-2)9-14(15)19(22)25-4/h5-10H,11H2,1-4H3,(H,20,21)
InChIKeyINYGIGJQGXDKMQ-UHFFFAOYSA-N
MW359.38 g/mol
LogP2.82
Rot. Bonds7

About methyl 4,5-dimethoxy-2-[[2-(4-methylphenoxy)acetyl]amino]benzoate

methyl 4,5-dimethoxy-2-[[2-(4-methylphenoxy)acetyl]amino]benzoate (PubChem CID 8801664) has the molecular formula C19H21NO6 and a molecular weight of 359.38 g/mol. Its IUPAC name is methyl 4,5-dimethoxy-2-[[2-(4-methylphenoxy)acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4,5-dimethoxy-2-[[2-(4-methylphenoxy)acetyl]amino]benzoate
PubChem CID8801664
Molecular FormulaC19H21NO6
Molecular Weight359.38 g/mol
Exact Mass359.14
IUPAC Namemethyl 4,5-dimethoxy-2-[[2-(4-methylphenoxy)acetyl]amino]benzoate
SMILESCOC(=O)c1cc(OC)c(OC)cc1NC(=O)COc1ccc(C)cc1
InChIInChI=1S/C19H21NO6/c1-12-5-7-13(8-6-12)26-11-18(21)20-15-10-17(24-3)16(23-2)9-14(15)19(22)25-4/h5-10H,11H2,1-4H3,(H,20,21)
InChIKeyINYGIGJQGXDKMQ-UHFFFAOYSA-N
XLogP2.82
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4,5-dimethoxy-2-[4-(4-methylphenoxy)butanoylamino]benzoate
CID 7917719
methyl 4,5-dimethoxy-2-[(2-methoxyacetyl)amino]benzoate
CID 2808926
methyl 2-[[2-(4-methylphenoxy)acetyl]amino]benzoate
CID 836161
methyl 2-[[2-(2-ethoxyphenoxy)acetyl]amino]-4,5-dimethoxybenzoate
CID 7917770
methyl 2-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-4,5-dimethoxybenzoate
CID 1328483
N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 1184723
methyl 2-[(2-aminoacetyl)amino]-4,5-dimethoxybenzoate;hydrochloride
CID 119265007
methyl 4,5-dimethoxy-2-[[2-(2-methoxyethoxy)acetyl]amino]benzoate
CID 43037508
4-methyl-2-[[2-(4-methylphenoxy)acetyl]amino]benzoic acid
CID 100977124
N-(2-methoxyphenyl)-2-[4-(4-methylphenoxy)phenoxy]acetamide
CID 24647330
2-[[2-(2,5-dimethylphenoxy)acetyl]amino]-4,5-dimethoxybenzoic acid
CID 1342326
methyl 4,5-dimethoxy-2-[3-(4-methoxyphenyl)propanoylamino]benzoate
CID 5305505

Frequently Asked Questions

What is the IUPAC name of methyl 4,5-dimethoxy-2-[[2-(4-methylphenoxy)acetyl]amino]benzoate?
The IUPAC name of methyl 4,5-dimethoxy-2-[[2-(4-methylphenoxy)acetyl]amino]benzoate (CID 8801664) is methyl 4,5-dimethoxy-2-[[2-(4-methylphenoxy)acetyl]amino]benzoate.
What is the SMILES notation for methyl 4,5-dimethoxy-2-[[2-(4-methylphenoxy)acetyl]amino]benzoate?
The canonical SMILES for methyl 4,5-dimethoxy-2-[[2-(4-methylphenoxy)acetyl]amino]benzoate is COC(=O)c1cc(OC)c(OC)cc1NC(=O)COc1ccc(C)cc1.
What is the InChIKey of methyl 4,5-dimethoxy-2-[[2-(4-methylphenoxy)acetyl]amino]benzoate?
The InChIKey is INYGIGJQGXDKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO6/c1-12-5-7-13(8-6-12)26-11-18(21)20-15-10-17(24-3)16(23-2)9-14(15)19(22)25-4/h5-10H,11H2,1-4H3,(H,20,21).
What are the key properties of methyl 4,5-dimethoxy-2-[[2-(4-methylphenoxy)acetyl]amino]benzoate?
methyl 4,5-dimethoxy-2-[[2-(4-methylphenoxy)acetyl]amino]benzoate has a molecular weight of 359.38 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4,5-dimethoxy-2-[[2-(4-methylphenoxy)acetyl]amino]benzoate is sourced from PubChem (CID 8801664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).