butyl 4-[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethoxy]benzoate

C19H22N2O6 — CID 7984445

IUPACbutyl 4-[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethoxy]benzoate
SMILESCCCCOC(=O)c1ccc(OCC(=O)NC(=O)NCc2ccco2)cc1
InChIInChI=1S/C19H22N2O6/c1-2-3-10-26-18(23)14-6-8-15(9-7-14)27-13-17(22)21-19(24)20-12-16-5-4-11-25-16/h4-9,11H,2-3,10,12-13H2,1H3,(H2,20,21,22,24)
InChIKeyKIJABDDBFKYANB-UHFFFAOYSA-N
MW374.39 g/mol
LogP2.64
Rot. Bonds9

About butyl 4-[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethoxy]benzoate

butyl 4-[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethoxy]benzoate (PubChem CID 7984445) has the molecular formula C19H22N2O6 and a molecular weight of 374.39 g/mol. Its IUPAC name is butyl 4-[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethoxy]benzoate.

Molecular Properties

Compound Namebutyl 4-[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethoxy]benzoate
PubChem CID7984445
Molecular FormulaC19H22N2O6
Molecular Weight374.39 g/mol
Exact Mass374.15
IUPAC Namebutyl 4-[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethoxy]benzoate
SMILESCCCCOC(=O)c1ccc(OCC(=O)NC(=O)NCc2ccco2)cc1
InChIInChI=1S/C19H22N2O6/c1-2-3-10-26-18(23)14-6-8-15(9-7-14)27-13-17(22)21-19(24)20-12-16-5-4-11-25-16/h4-9,11H,2-3,10,12-13H2,1H3,(H2,20,21,22,24)
InChIKeyKIJABDDBFKYANB-UHFFFAOYSA-N
XLogP2.64
TPSA106.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-O-[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 9116888
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 4-tert-butylbenzoate
CID 2631789
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3-ethoxy-4-propoxybenzoate
CID 7556770
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 4-acetamidobenzoate
CID 7949805
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3-(4-acetylphenoxy)propanoate
CID 31655781
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 4-formylbenzoate
CID 2504373
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 2590459
N-(furan-2-ylmethyl)-4-heptoxybenzamide
CID 3131904
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate
CID 7791464
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3-(4-methylphenoxy)propanoate
CID 24686754
2-(3-chlorophenoxy)-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 2707681
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] furan-2-carboxylate
CID 2631632

Frequently Asked Questions

What is the IUPAC name of butyl 4-[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethoxy]benzoate?
The IUPAC name of butyl 4-[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethoxy]benzoate (CID 7984445) is butyl 4-[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethoxy]benzoate.
What is the SMILES notation for butyl 4-[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethoxy]benzoate?
The canonical SMILES for butyl 4-[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethoxy]benzoate is CCCCOC(=O)c1ccc(OCC(=O)NC(=O)NCc2ccco2)cc1.
What is the InChIKey of butyl 4-[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethoxy]benzoate?
The InChIKey is KIJABDDBFKYANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O6/c1-2-3-10-26-18(23)14-6-8-15(9-7-14)27-13-17(22)21-19(24)20-12-16-5-4-11-25-16/h4-9,11H,2-3,10,12-13H2,1H3,(H2,20,21,22,24).
What are the key properties of butyl 4-[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethoxy]benzoate?
butyl 4-[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethoxy]benzoate has a molecular weight of 374.39 g/mol, XLogP of 2.64, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 4-[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethoxy]benzoate is sourced from PubChem (CID 7984445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).