2-[2-methyl-6-[[2-(propylcarbamoyl)phenoxy]methyl]phenoxy]acetic acid

C20H23NO5 — CID 70696285

IUPAC2-[2-methyl-6-[[2-(propylcarbamoyl)phenoxy]methyl]phenoxy]acetic acid
SMILESCCCNC(=O)c1ccccc1OCc1cccc(C)c1OCC(=O)O
InChIInChI=1S/C20H23NO5/c1-3-11-21-20(24)16-9-4-5-10-17(16)25-12-15-8-6-7-14(2)19(15)26-13-18(22)23/h4-10H,3,11-13H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyLUYPCFCSDSSQSY-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.18
Rot. Bonds9

About 2-[2-methyl-6-[[2-(propylcarbamoyl)phenoxy]methyl]phenoxy]acetic acid

2-[2-methyl-6-[[2-(propylcarbamoyl)phenoxy]methyl]phenoxy]acetic acid (PubChem CID 70696285) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is 2-[2-methyl-6-[[2-(propylcarbamoyl)phenoxy]methyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-methyl-6-[[2-(propylcarbamoyl)phenoxy]methyl]phenoxy]acetic acid
PubChem CID70696285
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC Name2-[2-methyl-6-[[2-(propylcarbamoyl)phenoxy]methyl]phenoxy]acetic acid
SMILESCCCNC(=O)c1ccccc1OCc1cccc(C)c1OCC(=O)O
InChIInChI=1S/C20H23NO5/c1-3-11-21-20(24)16-9-4-5-10-17(16)25-12-15-8-6-7-14(2)19(15)26-13-18(22)23/h4-10H,3,11-13H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyLUYPCFCSDSSQSY-UHFFFAOYSA-N
XLogP3.18
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-6-[[2-(propylcarbamoyl)phenoxy]methyl]phenoxy]acetic acid?
The IUPAC name of 2-[2-methyl-6-[[2-(propylcarbamoyl)phenoxy]methyl]phenoxy]acetic acid (CID 70696285) is 2-[2-methyl-6-[[2-(propylcarbamoyl)phenoxy]methyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-methyl-6-[[2-(propylcarbamoyl)phenoxy]methyl]phenoxy]acetic acid?
The canonical SMILES for 2-[2-methyl-6-[[2-(propylcarbamoyl)phenoxy]methyl]phenoxy]acetic acid is CCCNC(=O)c1ccccc1OCc1cccc(C)c1OCC(=O)O.
What is the InChIKey of 2-[2-methyl-6-[[2-(propylcarbamoyl)phenoxy]methyl]phenoxy]acetic acid?
The InChIKey is LUYPCFCSDSSQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5/c1-3-11-21-20(24)16-9-4-5-10-17(16)25-12-15-8-6-7-14(2)19(15)26-13-18(22)23/h4-10H,3,11-13H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of 2-[2-methyl-6-[[2-(propylcarbamoyl)phenoxy]methyl]phenoxy]acetic acid?
2-[2-methyl-6-[[2-(propylcarbamoyl)phenoxy]methyl]phenoxy]acetic acid has a molecular weight of 357.41 g/mol, XLogP of 3.18, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-6-[[2-(propylcarbamoyl)phenoxy]methyl]phenoxy]acetic acid is sourced from PubChem (CID 70696285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).