[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3-(4-acetylphenoxy)propanoate

C19H20N2O7 — CID 31655781

IUPAC[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3-(4-acetylphenoxy)propanoate
SMILESCC(=O)c1ccc(OCCC(=O)OCC(=O)NC(=O)NCc2ccco2)cc1
InChIInChI=1S/C19H20N2O7/c1-13(22)14-4-6-15(7-5-14)27-10-8-18(24)28-12-17(23)21-19(25)20-11-16-3-2-9-26-16/h2-7,9H,8,10-12H2,1H3,(H2,20,21,23,25)
InChIKeyZYHXHIKEPQVYDM-UHFFFAOYSA-N
MW388.38 g/mol
LogP1.82
Rot. Bonds9

About [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3-(4-acetylphenoxy)propanoate

[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3-(4-acetylphenoxy)propanoate (PubChem CID 31655781) has the molecular formula C19H20N2O7 and a molecular weight of 388.38 g/mol. Its IUPAC name is [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3-(4-acetylphenoxy)propanoate.

Molecular Properties

Compound Name[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3-(4-acetylphenoxy)propanoate
PubChem CID31655781
Molecular FormulaC19H20N2O7
Molecular Weight388.38 g/mol
Exact Mass388.13
IUPAC Name[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3-(4-acetylphenoxy)propanoate
SMILESCC(=O)c1ccc(OCCC(=O)OCC(=O)NC(=O)NCc2ccco2)cc1
InChIInChI=1S/C19H20N2O7/c1-13(22)14-4-6-15(7-5-14)27-10-8-18(24)28-12-17(23)21-19(25)20-11-16-3-2-9-26-16/h2-7,9H,8,10-12H2,1H3,(H2,20,21,23,25)
InChIKeyZYHXHIKEPQVYDM-UHFFFAOYSA-N
XLogP1.82
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 ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3-(4-methylphenoxy)propanoate
CID 24686754
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3-(3-methylphenoxy)propanoate
CID 2600442
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 2590459
[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 3-(4-acetylphenoxy)propanoate
CID 31656361
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate
CID 7791464
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3-(4-methoxyphenyl)propanoate
CID 2523204
butyl 4-[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethoxy]benzoate
CID 7984445
4-O-[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 9116888
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]propanoate
CID 7827212
2-[[2-(4-acetylphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)acetamide
CID 30039326
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 4-acetamidobenzoate
CID 7949805
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 4-oxo-4-(4-pentylphenyl)butanoate
CID 4273498

Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3-(4-acetylphenoxy)propanoate?
The IUPAC name of [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3-(4-acetylphenoxy)propanoate (CID 31655781) is [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3-(4-acetylphenoxy)propanoate.
What is the SMILES notation for [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3-(4-acetylphenoxy)propanoate?
The canonical SMILES for [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3-(4-acetylphenoxy)propanoate is CC(=O)c1ccc(OCCC(=O)OCC(=O)NC(=O)NCc2ccco2)cc1.
What is the InChIKey of [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3-(4-acetylphenoxy)propanoate?
The InChIKey is ZYHXHIKEPQVYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O7/c1-13(22)14-4-6-15(7-5-14)27-10-8-18(24)28-12-17(23)21-19(25)20-11-16-3-2-9-26-16/h2-7,9H,8,10-12H2,1H3,(H2,20,21,23,25).
What are the key properties of [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3-(4-acetylphenoxy)propanoate?
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3-(4-acetylphenoxy)propanoate has a molecular weight of 388.38 g/mol, XLogP of 1.82, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3-(4-acetylphenoxy)propanoate is sourced from PubChem (CID 31655781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).