[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)-3-phenylpropanoate

C19H20N2O7 — CID 2999401

IUPAC[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)-3-phenylpropanoate
SMILESCOC(=O)CNC(=O)COC(=O)C(Cc1ccccc1)NC(=O)c1ccco1
InChIInChI=1S/C19H20N2O7/c1-26-17(23)11-20-16(22)12-28-19(25)14(10-13-6-3-2-4-7-13)21-18(24)15-8-5-9-27-15/h2-9,14H,10-12H2,1H3,(H,20,22)(H,21,24)
InChIKeyOKSDTORCCDZDON-UHFFFAOYSA-N
MW388.38 g/mol
LogP0.45
Rot. Bonds9

About [2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)-3-phenylpropanoate

[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)-3-phenylpropanoate (PubChem CID 2999401) has the molecular formula C19H20N2O7 and a molecular weight of 388.38 g/mol. Its IUPAC name is [2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)-3-phenylpropanoate.

Molecular Properties

Compound Name[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)-3-phenylpropanoate
PubChem CID2999401
Molecular FormulaC19H20N2O7
Molecular Weight388.38 g/mol
Exact Mass388.13
IUPAC Name[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)-3-phenylpropanoate
SMILESCOC(=O)CNC(=O)COC(=O)C(Cc1ccccc1)NC(=O)c1ccco1
InChIInChI=1S/C19H20N2O7/c1-26-17(23)11-20-16(22)12-28-19(25)14(10-13-6-3-2-4-7-13)21-18(24)15-8-5-9-27-15/h2-9,14H,10-12H2,1H3,(H,20,22)(H,21,24)
InChIKeyOKSDTORCCDZDON-UHFFFAOYSA-N
XLogP0.45
TPSA123.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.38
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)-3-phenylpropanoate?
The IUPAC name of [2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)-3-phenylpropanoate (CID 2999401) is [2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)-3-phenylpropanoate.
What is the SMILES notation for [2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)-3-phenylpropanoate?
The canonical SMILES for [2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)-3-phenylpropanoate is COC(=O)CNC(=O)COC(=O)C(Cc1ccccc1)NC(=O)c1ccco1.
What is the InChIKey of [2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)-3-phenylpropanoate?
The InChIKey is OKSDTORCCDZDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O7/c1-26-17(23)11-20-16(22)12-28-19(25)14(10-13-6-3-2-4-7-13)21-18(24)15-8-5-9-27-15/h2-9,14H,10-12H2,1H3,(H,20,22)(H,21,24).
What are the key properties of [2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)-3-phenylpropanoate?
[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)-3-phenylpropanoate has a molecular weight of 388.38 g/mol, XLogP of 0.45, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)-3-phenylpropanoate is sourced from PubChem (CID 2999401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).