[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(2-methylphenoxy)acetate

C16H17NO5 — CID 7767823

IUPAC[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(2-methylphenoxy)acetate
SMILESCc1ccccc1OCC(=O)OCC(=O)NCc1ccco1
InChIInChI=1S/C16H17NO5/c1-12-5-2-3-7-14(12)21-11-16(19)22-10-15(18)17-9-13-6-4-8-20-13/h2-8H,9-11H2,1H3,(H,17,18)
InChIKeyPYPOEMPVSFAXGA-UHFFFAOYSA-N
MW303.31 g/mol
LogP1.83
Rot. Bonds7

About [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(2-methylphenoxy)acetate

[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(2-methylphenoxy)acetate (PubChem CID 7767823) has the molecular formula C16H17NO5 and a molecular weight of 303.31 g/mol. Its IUPAC name is [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(2-methylphenoxy)acetate.

Molecular Properties

Compound Name[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(2-methylphenoxy)acetate
PubChem CID7767823
Molecular FormulaC16H17NO5
Molecular Weight303.31 g/mol
Exact Mass303.11
IUPAC Name[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(2-methylphenoxy)acetate
SMILESCc1ccccc1OCC(=O)OCC(=O)NCc1ccco1
InChIInChI=1S/C16H17NO5/c1-12-5-2-3-7-14(12)21-11-16(19)22-10-15(18)17-9-13-6-4-8-20-13/h2-8H,9-11H2,1H3,(H,17,18)
InChIKeyPYPOEMPVSFAXGA-UHFFFAOYSA-N
XLogP1.83
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(2-methylphenoxy)acetate?
The IUPAC name of [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(2-methylphenoxy)acetate (CID 7767823) is [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(2-methylphenoxy)acetate.
What is the SMILES notation for [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(2-methylphenoxy)acetate?
The canonical SMILES for [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(2-methylphenoxy)acetate is Cc1ccccc1OCC(=O)OCC(=O)NCc1ccco1.
What is the InChIKey of [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(2-methylphenoxy)acetate?
The InChIKey is PYPOEMPVSFAXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO5/c1-12-5-2-3-7-14(12)21-11-16(19)22-10-15(18)17-9-13-6-4-8-20-13/h2-8H,9-11H2,1H3,(H,17,18).
What are the key properties of [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(2-methylphenoxy)acetate?
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(2-methylphenoxy)acetate has a molecular weight of 303.31 g/mol, XLogP of 1.83, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(2-methylphenoxy)acetate is sourced from PubChem (CID 7767823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).