methyl 2-[2-[(4-methoxyphenyl)carbamoyl]phenoxy]acetate

C17H17NO5 — CID 628837

IUPACmethyl 2-[2-[(4-methoxyphenyl)carbamoyl]phenoxy]acetate
SMILESCOC(=O)COc1ccccc1C(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C17H17NO5/c1-21-13-9-7-12(8-10-13)18-17(20)14-5-3-4-6-15(14)23-11-16(19)22-2/h3-10H,11H2,1-2H3,(H,18,20)
InChIKeyLOXHDFHRFCBMTB-UHFFFAOYSA-N
MW315.33 g/mol
LogP2.50
Rot. Bonds6

About methyl 2-[2-[(4-methoxyphenyl)carbamoyl]phenoxy]acetate

methyl 2-[2-[(4-methoxyphenyl)carbamoyl]phenoxy]acetate (PubChem CID 628837) has the molecular formula C17H17NO5 and a molecular weight of 315.33 g/mol. Its IUPAC name is methyl 2-[2-[(4-methoxyphenyl)carbamoyl]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[(4-methoxyphenyl)carbamoyl]phenoxy]acetate
PubChem CID628837
Molecular FormulaC17H17NO5
Molecular Weight315.33 g/mol
Exact Mass315.11
IUPAC Namemethyl 2-[2-[(4-methoxyphenyl)carbamoyl]phenoxy]acetate
SMILESCOC(=O)COc1ccccc1C(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C17H17NO5/c1-21-13-9-7-12(8-10-13)18-17(20)14-5-3-4-6-15(14)23-11-16(19)22-2/h3-10H,11H2,1-2H3,(H,18,20)
InChIKeyLOXHDFHRFCBMTB-UHFFFAOYSA-N
XLogP2.50
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[(4-methoxyphenyl)carbamoyl]phenoxy]acetate?
The IUPAC name of methyl 2-[2-[(4-methoxyphenyl)carbamoyl]phenoxy]acetate (CID 628837) is methyl 2-[2-[(4-methoxyphenyl)carbamoyl]phenoxy]acetate.
What is the SMILES notation for methyl 2-[2-[(4-methoxyphenyl)carbamoyl]phenoxy]acetate?
The canonical SMILES for methyl 2-[2-[(4-methoxyphenyl)carbamoyl]phenoxy]acetate is COC(=O)COc1ccccc1C(=O)Nc1ccc(OC)cc1.
What is the InChIKey of methyl 2-[2-[(4-methoxyphenyl)carbamoyl]phenoxy]acetate?
The InChIKey is LOXHDFHRFCBMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO5/c1-21-13-9-7-12(8-10-13)18-17(20)14-5-3-4-6-15(14)23-11-16(19)22-2/h3-10H,11H2,1-2H3,(H,18,20).
What are the key properties of methyl 2-[2-[(4-methoxyphenyl)carbamoyl]phenoxy]acetate?
methyl 2-[2-[(4-methoxyphenyl)carbamoyl]phenoxy]acetate has a molecular weight of 315.33 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[(4-methoxyphenyl)carbamoyl]phenoxy]acetate is sourced from PubChem (CID 628837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).