[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 4-oxo-4-(4-pentylphenyl)butanoate

C23H28N2O6 — CID 4273498

IUPAC[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 4-oxo-4-(4-pentylphenyl)butanoate
SMILESCCCCCc1ccc(C(=O)CCC(=O)OCC(=O)NC(=O)NCc2ccco2)cc1
InChIInChI=1S/C23H28N2O6/c1-2-3-4-6-17-8-10-18(11-9-17)20(26)12-13-22(28)31-16-21(27)25-23(29)24-15-19-7-5-14-30-19/h5,7-11,14H,2-4,6,12-13,15-16H2,1H3,(H2,24,25,27,29)
InChIKeyYKWSYHLCGOATOU-UHFFFAOYSA-N
MW428.49 g/mol
LogP3.54
Rot. Bonds12

About [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 4-oxo-4-(4-pentylphenyl)butanoate

[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 4-oxo-4-(4-pentylphenyl)butanoate (PubChem CID 4273498) has the molecular formula C23H28N2O6 and a molecular weight of 428.49 g/mol. Its IUPAC name is [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 4-oxo-4-(4-pentylphenyl)butanoate.

Molecular Properties

Compound Name[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 4-oxo-4-(4-pentylphenyl)butanoate
PubChem CID4273498
Molecular FormulaC23H28N2O6
Molecular Weight428.49 g/mol
Exact Mass428.19
IUPAC Name[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 4-oxo-4-(4-pentylphenyl)butanoate
SMILESCCCCCc1ccc(C(=O)CCC(=O)OCC(=O)NC(=O)NCc2ccco2)cc1
InChIInChI=1S/C23H28N2O6/c1-2-3-4-6-17-8-10-18(11-9-17)20(26)12-13-22(28)31-16-21(27)25-23(29)24-15-19-7-5-14-30-19/h5,7-11,14H,2-4,6,12-13,15-16H2,1H3,(H2,24,25,27,29)
InChIKeyYKWSYHLCGOATOU-UHFFFAOYSA-N
XLogP3.54
TPSA114.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 53.54
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

[2-(ethylcarbamoylamino)-2-oxoethyl] 4-oxo-4-(4-pentylphenyl)butanoate
CID 7198076
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3-(4-methoxyphenyl)propanoate
CID 2523204
[2-(carbamoylamino)-2-oxoethyl] 4-oxo-4-(4-pentylphenyl)butanoate
CID 7198067
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoate
CID 7790797
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3-(4-acetylphenoxy)propanoate
CID 31655781
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-(4-ethylanilino)-2-oxoethyl] 4-oxo-4-(4-pentylphenyl)butanoate
CID 7198194
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3-(4-methylphenoxy)propanoate
CID 24686754
ethyl 4-oxo-4-(4-pentylphenyl)butanoate
CID 24727550
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] furan-2-carboxylate
CID 2631632

Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 4-oxo-4-(4-pentylphenyl)butanoate?
The IUPAC name of [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 4-oxo-4-(4-pentylphenyl)butanoate (CID 4273498) is [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 4-oxo-4-(4-pentylphenyl)butanoate.
What is the SMILES notation for [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 4-oxo-4-(4-pentylphenyl)butanoate?
The canonical SMILES for [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 4-oxo-4-(4-pentylphenyl)butanoate is CCCCCc1ccc(C(=O)CCC(=O)OCC(=O)NC(=O)NCc2ccco2)cc1.
What is the InChIKey of [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 4-oxo-4-(4-pentylphenyl)butanoate?
The InChIKey is YKWSYHLCGOATOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O6/c1-2-3-4-6-17-8-10-18(11-9-17)20(26)12-13-22(28)31-16-21(27)25-23(29)24-15-19-7-5-14-30-19/h5,7-11,14H,2-4,6,12-13,15-16H2,1H3,(H2,24,25,27,29).
What are the key properties of [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 4-oxo-4-(4-pentylphenyl)butanoate?
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 4-oxo-4-(4-pentylphenyl)butanoate has a molecular weight of 428.49 g/mol, XLogP of 3.54, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 4-oxo-4-(4-pentylphenyl)butanoate is sourced from PubChem (CID 4273498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).