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

C24H24N2O6 — CID 1381394

IUPACmethyl 2-[4-[3-[4-[(2-methoxy-2-oxoethyl)amino]phenoxy]phenoxy]anilino]acetate
SMILESCOC(=O)CNc1ccc(Oc2cccc(Oc3ccc(NCC(=O)OC)cc3)c2)cc1
InChIInChI=1S/C24H24N2O6/c1-29-23(27)15-25-17-6-10-19(11-7-17)31-21-4-3-5-22(14-21)32-20-12-8-18(9-13-20)26-16-24(28)30-2/h3-14,25-26H,15-16H2,1-2H3
InChIKeyPYLOQMNLPRAGSW-UHFFFAOYSA-N
MW436.46 g/mol
LogP4.44
Rot. Bonds10

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

methyl 2-[4-[3-[4-[(2-methoxy-2-oxoethyl)amino]phenoxy]phenoxy]anilino]acetate (PubChem CID 1381394) has the molecular formula C24H24N2O6 and a molecular weight of 436.46 g/mol. Its IUPAC name is methyl 2-[4-[3-[4-[(2-methoxy-2-oxoethyl)amino]phenoxy]phenoxy]anilino]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[3-[4-[(2-methoxy-2-oxoethyl)amino]phenoxy]phenoxy]anilino]acetate
PubChem CID1381394
Molecular FormulaC24H24N2O6
Molecular Weight436.46 g/mol
Exact Mass436.16
IUPAC Namemethyl 2-[4-[3-[4-[(2-methoxy-2-oxoethyl)amino]phenoxy]phenoxy]anilino]acetate
SMILESCOC(=O)CNc1ccc(Oc2cccc(Oc3ccc(NCC(=O)OC)cc3)c2)cc1
InChIInChI=1S/C24H24N2O6/c1-29-23(27)15-25-17-6-10-19(11-7-17)31-21-4-3-5-22(14-21)32-20-12-8-18(9-13-20)26-16-24(28)30-2/h3-14,25-26H,15-16H2,1-2H3
InChIKeyPYLOQMNLPRAGSW-UHFFFAOYSA-N
XLogP4.44
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.46
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Related Compounds

methyl 2-(3-propan-2-yloxyanilino)acetate
CID 19829935
N-(3-acetamidophenyl)-2-(4-phenoxyanilino)acetamide
CID 54812613
4-[(2-methoxy-2-oxoethyl)amino]benzoic acid
CID 898305
methyl 2-(3-iodoanilino)acetate
CID 19829858
N-(3-acetylphenyl)-2-(4-phenoxyanilino)acetamide
CID 109009860
methyl 3-[(2-methoxy-2-oxoethyl)amino]benzoate
CID 22080521
N-[2-(3-methoxyphenyl)ethyl]-2-(4-phenoxyanilino)acetamide
CID 109001103
2-amino-3-hydroxy-N-[4-(3-methoxyphenoxy)phenyl]-2-methylpropanamide
CID 69268031
methyl 2-[3-[2-(dimethylamino)-2-oxoethoxy]anilino]acetate
CID 52704348
methyl 2-(3-propan-2-ylanilino)acetate
CID 20824069
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-phenoxyanilino)acetamide
CID 39912338
methyl 2-(4-amino-3-methylanilino)acetate
CID 43436219

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[3-[4-[(2-methoxy-2-oxoethyl)amino]phenoxy]phenoxy]anilino]acetate?
The IUPAC name of methyl 2-[4-[3-[4-[(2-methoxy-2-oxoethyl)amino]phenoxy]phenoxy]anilino]acetate (CID 1381394) is methyl 2-[4-[3-[4-[(2-methoxy-2-oxoethyl)amino]phenoxy]phenoxy]anilino]acetate.
What is the SMILES notation for methyl 2-[4-[3-[4-[(2-methoxy-2-oxoethyl)amino]phenoxy]phenoxy]anilino]acetate?
The canonical SMILES for methyl 2-[4-[3-[4-[(2-methoxy-2-oxoethyl)amino]phenoxy]phenoxy]anilino]acetate is COC(=O)CNc1ccc(Oc2cccc(Oc3ccc(NCC(=O)OC)cc3)c2)cc1.
What is the InChIKey of methyl 2-[4-[3-[4-[(2-methoxy-2-oxoethyl)amino]phenoxy]phenoxy]anilino]acetate?
The InChIKey is PYLOQMNLPRAGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O6/c1-29-23(27)15-25-17-6-10-19(11-7-17)31-21-4-3-5-22(14-21)32-20-12-8-18(9-13-20)26-16-24(28)30-2/h3-14,25-26H,15-16H2,1-2H3.
What are the key properties of methyl 2-[4-[3-[4-[(2-methoxy-2-oxoethyl)amino]phenoxy]phenoxy]anilino]acetate?
methyl 2-[4-[3-[4-[(2-methoxy-2-oxoethyl)amino]phenoxy]phenoxy]anilino]acetate has a molecular weight of 436.46 g/mol, XLogP of 4.44, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[3-[4-[(2-methoxy-2-oxoethyl)amino]phenoxy]phenoxy]anilino]acetate is sourced from PubChem (CID 1381394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).