methyl 2-[3-[(3,5-dimethoxybenzoyl)amino]phenoxy]acetate

C18H19NO6 — CID 973408

IUPACmethyl 2-[3-[(3,5-dimethoxybenzoyl)amino]phenoxy]acetate
SMILESCOC(=O)COc1cccc(NC(=O)c2cc(OC)cc(OC)c2)c1
InChIInChI=1S/C18H19NO6/c1-22-15-7-12(8-16(10-15)23-2)18(21)19-13-5-4-6-14(9-13)25-11-17(20)24-3/h4-10H,11H2,1-3H3,(H,19,21)
InChIKeyWRTZXNTVPLSSMD-UHFFFAOYSA-N
MW345.35 g/mol
LogP2.51
Rot. Bonds7

About methyl 2-[3-[(3,5-dimethoxybenzoyl)amino]phenoxy]acetate

methyl 2-[3-[(3,5-dimethoxybenzoyl)amino]phenoxy]acetate (PubChem CID 973408) has the molecular formula C18H19NO6 and a molecular weight of 345.35 g/mol. Its IUPAC name is methyl 2-[3-[(3,5-dimethoxybenzoyl)amino]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[3-[(3,5-dimethoxybenzoyl)amino]phenoxy]acetate
PubChem CID973408
Molecular FormulaC18H19NO6
Molecular Weight345.35 g/mol
Exact Mass345.12
IUPAC Namemethyl 2-[3-[(3,5-dimethoxybenzoyl)amino]phenoxy]acetate
SMILESCOC(=O)COc1cccc(NC(=O)c2cc(OC)cc(OC)c2)c1
InChIInChI=1S/C18H19NO6/c1-22-15-7-12(8-16(10-15)23-2)18(21)19-13-5-4-6-14(9-13)25-11-17(20)24-3/h4-10H,11H2,1-3H3,(H,19,21)
InChIKeyWRTZXNTVPLSSMD-UHFFFAOYSA-N
XLogP2.51
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-dimethoxy-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]benzamide
CID 38737983
methyl 2-[3-(2-methoxy-2-oxoethoxy)phenoxy]acetate
CID 6420588
2-[[3-(2-methoxy-2-oxoethoxy)phenyl]carbamoyl]benzoic acid
CID 17359941
2-(3-methoxyphenoxy)-N-(3-methoxyphenyl)acetamide
CID 19204025
methyl 2-[3-[(2-ethoxybenzoyl)amino]phenoxy]acetate
CID 46416869
methyl 2-[3-[(2,2-diphenylacetyl)amino]phenoxy]acetate
CID 1301261
methyl 2-[3-[(4-methyl-1,3-oxazole-5-carbonyl)amino]phenoxy]acetate
CID 79489953
methyl 2-[3-(1,2-oxazole-5-carbonylamino)phenoxy]acetate
CID 61057722
N-[3-[2-(4-methoxyphenyl)-2-oxoethoxy]phenyl]-4-methylbenzamide
CID 19644977
methyl 2-[3-(diethylcarbamoylamino)phenoxy]acetate
CID 112728907
methyl 2-[3-(but-3-ynoylamino)phenoxy]acetate
CID 114028677
methyl 2-[3-[(2-phenylacetyl)amino]phenoxy]acetate
CID 891990

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[(3,5-dimethoxybenzoyl)amino]phenoxy]acetate?
The IUPAC name of methyl 2-[3-[(3,5-dimethoxybenzoyl)amino]phenoxy]acetate (CID 973408) is methyl 2-[3-[(3,5-dimethoxybenzoyl)amino]phenoxy]acetate.
What is the SMILES notation for methyl 2-[3-[(3,5-dimethoxybenzoyl)amino]phenoxy]acetate?
The canonical SMILES for methyl 2-[3-[(3,5-dimethoxybenzoyl)amino]phenoxy]acetate is COC(=O)COc1cccc(NC(=O)c2cc(OC)cc(OC)c2)c1.
What is the InChIKey of methyl 2-[3-[(3,5-dimethoxybenzoyl)amino]phenoxy]acetate?
The InChIKey is WRTZXNTVPLSSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO6/c1-22-15-7-12(8-16(10-15)23-2)18(21)19-13-5-4-6-14(9-13)25-11-17(20)24-3/h4-10H,11H2,1-3H3,(H,19,21).
What are the key properties of methyl 2-[3-[(3,5-dimethoxybenzoyl)amino]phenoxy]acetate?
methyl 2-[3-[(3,5-dimethoxybenzoyl)amino]phenoxy]acetate has a molecular weight of 345.35 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[(3,5-dimethoxybenzoyl)amino]phenoxy]acetate is sourced from PubChem (CID 973408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).