[2-(furan-2-ylmethylamino)-2-oxoethyl] 2,6-dimethoxybenzoate

C16H17NO6 — CID 2433535

IUPAC[2-(furan-2-ylmethylamino)-2-oxoethyl] 2,6-dimethoxybenzoate
SMILESCOc1cccc(OC)c1C(=O)OCC(=O)NCc1ccco1
InChIInChI=1S/C16H17NO6/c1-20-12-6-3-7-13(21-2)15(12)16(19)23-10-14(18)17-9-11-5-4-8-22-11/h3-8H,9-10H2,1-2H3,(H,17,18)
InChIKeyFITPTPDJHAWSDX-UHFFFAOYSA-N
MW319.31 g/mol
LogP1.77
Rot. Bonds7

About [2-(furan-2-ylmethylamino)-2-oxoethyl] 2,6-dimethoxybenzoate

[2-(furan-2-ylmethylamino)-2-oxoethyl] 2,6-dimethoxybenzoate (PubChem CID 2433535) has the molecular formula C16H17NO6 and a molecular weight of 319.31 g/mol. Its IUPAC name is [2-(furan-2-ylmethylamino)-2-oxoethyl] 2,6-dimethoxybenzoate.

Molecular Properties

Compound Name[2-(furan-2-ylmethylamino)-2-oxoethyl] 2,6-dimethoxybenzoate
PubChem CID2433535
Molecular FormulaC16H17NO6
Molecular Weight319.31 g/mol
Exact Mass319.11
IUPAC Name[2-(furan-2-ylmethylamino)-2-oxoethyl] 2,6-dimethoxybenzoate
SMILESCOc1cccc(OC)c1C(=O)OCC(=O)NCc1ccco1
InChIInChI=1S/C16H17NO6/c1-20-12-6-3-7-13(21-2)15(12)16(19)23-10-14(18)17-9-11-5-4-8-22-11/h3-8H,9-10H2,1-2H3,(H,17,18)
InChIKeyFITPTPDJHAWSDX-UHFFFAOYSA-N
XLogP1.77
TPSA87.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.31
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-ylmethylamino)-2-oxoethyl] 2,6-dimethoxybenzoate?
The IUPAC name of [2-(furan-2-ylmethylamino)-2-oxoethyl] 2,6-dimethoxybenzoate (CID 2433535) is [2-(furan-2-ylmethylamino)-2-oxoethyl] 2,6-dimethoxybenzoate.
What is the SMILES notation for [2-(furan-2-ylmethylamino)-2-oxoethyl] 2,6-dimethoxybenzoate?
The canonical SMILES for [2-(furan-2-ylmethylamino)-2-oxoethyl] 2,6-dimethoxybenzoate is COc1cccc(OC)c1C(=O)OCC(=O)NCc1ccco1.
What is the InChIKey of [2-(furan-2-ylmethylamino)-2-oxoethyl] 2,6-dimethoxybenzoate?
The InChIKey is FITPTPDJHAWSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO6/c1-20-12-6-3-7-13(21-2)15(12)16(19)23-10-14(18)17-9-11-5-4-8-22-11/h3-8H,9-10H2,1-2H3,(H,17,18).
What are the key properties of [2-(furan-2-ylmethylamino)-2-oxoethyl] 2,6-dimethoxybenzoate?
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2,6-dimethoxybenzoate has a molecular weight of 319.31 g/mol, XLogP of 1.77, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-ylmethylamino)-2-oxoethyl] 2,6-dimethoxybenzoate is sourced from PubChem (CID 2433535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).