methyl 2-[4-[[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]carbamoyl]-2-methoxyphenoxy]acetate

C25H23NO8 — CID 55805067

IUPACmethyl 2-[4-[[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]carbamoyl]-2-methoxyphenoxy]acetate
SMILESCOC(=O)COc1ccc(C(=O)Nc2cccc(COc3ccc4c(c3)OCO4)c2)cc1OC
InChIInChI=1S/C25H23NO8/c1-29-22-11-17(6-8-20(22)32-14-24(27)30-2)25(28)26-18-5-3-4-16(10-18)13-31-19-7-9-21-23(12-19)34-15-33-21/h3-12H,13-15H2,1-2H3,(H,26,28)
InChIKeyLTSNPEFHJIGHKP-UHFFFAOYSA-N
MW465.46 g/mol
LogP3.81
Rot. Bonds9

About methyl 2-[4-[[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]carbamoyl]-2-methoxyphenoxy]acetate

methyl 2-[4-[[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]carbamoyl]-2-methoxyphenoxy]acetate (PubChem CID 55805067) has the molecular formula C25H23NO8 and a molecular weight of 465.46 g/mol. Its IUPAC name is methyl 2-[4-[[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]carbamoyl]-2-methoxyphenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]carbamoyl]-2-methoxyphenoxy]acetate
PubChem CID55805067
Molecular FormulaC25H23NO8
Molecular Weight465.46 g/mol
Exact Mass465.14
IUPAC Namemethyl 2-[4-[[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]carbamoyl]-2-methoxyphenoxy]acetate
SMILESCOC(=O)COc1ccc(C(=O)Nc2cccc(COc3ccc4c(c3)OCO4)c2)cc1OC
InChIInChI=1S/C25H23NO8/c1-29-22-11-17(6-8-20(22)32-14-24(27)30-2)25(28)26-18-5-3-4-16(10-18)13-31-19-7-9-21-23(12-19)34-15-33-21/h3-12H,13-15H2,1-2H3,(H,26,28)
InChIKeyLTSNPEFHJIGHKP-UHFFFAOYSA-N
XLogP3.81
TPSA101.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.46
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 2-[4-[[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]carbamoyl]-2-methoxyphenoxy]acetate with MolForge

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Related Compounds

N-[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]-3-methoxybenzamide
CID 55804746
methyl 2-[4-[[3-[(3-fluorophenoxy)methyl]phenyl]carbamoyl]-2-methoxyphenoxy]acetate
CID 55778127
N-(1,3-benzodioxol-5-yl)-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide
CID 26908303
N-[1-[3-(1,3-benzodioxol-5-yloxymethyl)anilino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 55970882
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxy-4-phenylmethoxybenzamide
CID 8702201
N-(3,4-dimethoxyphenyl)-1,3-benzodioxole-5-carboxamide
CID 16619123
N-(4-phenylmethoxyphenyl)-1,3-benzodioxole-5-carboxamide
CID 777218
2-amino-N-[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]-3-methoxypropanamide
CID 120986488
N-[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]-2-methyl-3-(methylamino)propanamide
CID 119729232
1-[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]-3-pentylurea
CID 52641021
1-[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]-3-(3-methylbutyl)urea
CID 52641109
2-amino-N-[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]pentanamide
CID 119292475

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]carbamoyl]-2-methoxyphenoxy]acetate?
The IUPAC name of methyl 2-[4-[[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]carbamoyl]-2-methoxyphenoxy]acetate (CID 55805067) is methyl 2-[4-[[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]carbamoyl]-2-methoxyphenoxy]acetate.
What is the SMILES notation for methyl 2-[4-[[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]carbamoyl]-2-methoxyphenoxy]acetate?
The canonical SMILES for methyl 2-[4-[[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]carbamoyl]-2-methoxyphenoxy]acetate is COC(=O)COc1ccc(C(=O)Nc2cccc(COc3ccc4c(c3)OCO4)c2)cc1OC.
What is the InChIKey of methyl 2-[4-[[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]carbamoyl]-2-methoxyphenoxy]acetate?
The InChIKey is LTSNPEFHJIGHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO8/c1-29-22-11-17(6-8-20(22)32-14-24(27)30-2)25(28)26-18-5-3-4-16(10-18)13-31-19-7-9-21-23(12-19)34-15-33-21/h3-12H,13-15H2,1-2H3,(H,26,28).
What are the key properties of methyl 2-[4-[[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]carbamoyl]-2-methoxyphenoxy]acetate?
methyl 2-[4-[[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]carbamoyl]-2-methoxyphenoxy]acetate has a molecular weight of 465.46 g/mol, XLogP of 3.81, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]carbamoyl]-2-methoxyphenoxy]acetate is sourced from PubChem (CID 55805067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).