[1-(4-ethoxyphenyl)-2-[(4-methylphenyl)methylamino]-2-oxoethyl] furan-2-carboxylate

C23H23NO5 — CID 3227613

IUPAC[1-(4-ethoxyphenyl)-2-[(4-methylphenyl)methylamino]-2-oxoethyl] furan-2-carboxylate
SMILESCCOc1ccc(C(OC(=O)c2ccco2)C(=O)NCc2ccc(C)cc2)cc1
InChIInChI=1S/C23H23NO5/c1-3-27-19-12-10-18(11-13-19)21(29-23(26)20-5-4-14-28-20)22(25)24-15-17-8-6-16(2)7-9-17/h4-14,21H,3,15H2,1-2H3,(H,24,25)
InChIKeyKHJNJEBHRCPLRY-UHFFFAOYSA-N
MW393.44 g/mol
LogP4.20
Rot. Bonds8

About [1-(4-ethoxyphenyl)-2-[(4-methylphenyl)methylamino]-2-oxoethyl] furan-2-carboxylate

[1-(4-ethoxyphenyl)-2-[(4-methylphenyl)methylamino]-2-oxoethyl] furan-2-carboxylate (PubChem CID 3227613) has the molecular formula C23H23NO5 and a molecular weight of 393.44 g/mol. Its IUPAC name is [1-(4-ethoxyphenyl)-2-[(4-methylphenyl)methylamino]-2-oxoethyl] furan-2-carboxylate.

Molecular Properties

Compound Name[1-(4-ethoxyphenyl)-2-[(4-methylphenyl)methylamino]-2-oxoethyl] furan-2-carboxylate
PubChem CID3227613
Molecular FormulaC23H23NO5
Molecular Weight393.44 g/mol
Exact Mass393.16
IUPAC Name[1-(4-ethoxyphenyl)-2-[(4-methylphenyl)methylamino]-2-oxoethyl] furan-2-carboxylate
SMILESCCOc1ccc(C(OC(=O)c2ccco2)C(=O)NCc2ccc(C)cc2)cc1
InChIInChI=1S/C23H23NO5/c1-3-27-19-12-10-18(11-13-19)21(29-23(26)20-5-4-14-28-20)22(25)24-15-17-8-6-16(2)7-9-17/h4-14,21H,3,15H2,1-2H3,(H,24,25)
InChIKeyKHJNJEBHRCPLRY-UHFFFAOYSA-N
XLogP4.20
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(4-ethoxyphenyl)-2-[(4-methylphenyl)methylamino]-2-oxoethyl] furan-2-carboxylate?
The IUPAC name of [1-(4-ethoxyphenyl)-2-[(4-methylphenyl)methylamino]-2-oxoethyl] furan-2-carboxylate (CID 3227613) is [1-(4-ethoxyphenyl)-2-[(4-methylphenyl)methylamino]-2-oxoethyl] furan-2-carboxylate.
What is the SMILES notation for [1-(4-ethoxyphenyl)-2-[(4-methylphenyl)methylamino]-2-oxoethyl] furan-2-carboxylate?
The canonical SMILES for [1-(4-ethoxyphenyl)-2-[(4-methylphenyl)methylamino]-2-oxoethyl] furan-2-carboxylate is CCOc1ccc(C(OC(=O)c2ccco2)C(=O)NCc2ccc(C)cc2)cc1.
What is the InChIKey of [1-(4-ethoxyphenyl)-2-[(4-methylphenyl)methylamino]-2-oxoethyl] furan-2-carboxylate?
The InChIKey is KHJNJEBHRCPLRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO5/c1-3-27-19-12-10-18(11-13-19)21(29-23(26)20-5-4-14-28-20)22(25)24-15-17-8-6-16(2)7-9-17/h4-14,21H,3,15H2,1-2H3,(H,24,25).
What are the key properties of [1-(4-ethoxyphenyl)-2-[(4-methylphenyl)methylamino]-2-oxoethyl] furan-2-carboxylate?
[1-(4-ethoxyphenyl)-2-[(4-methylphenyl)methylamino]-2-oxoethyl] furan-2-carboxylate has a molecular weight of 393.44 g/mol, XLogP of 4.20, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-ethoxyphenyl)-2-[(4-methylphenyl)methylamino]-2-oxoethyl] furan-2-carboxylate is sourced from PubChem (CID 3227613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).