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

C19H21NO4 — CID 3220226

IUPAC[2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl] furan-2-carboxylate
SMILESCc1ccc(C(OC(=O)c2ccco2)C(=O)NC2CCCC2)cc1
InChIInChI=1S/C19H21NO4/c1-13-8-10-14(11-9-13)17(18(21)20-15-5-2-3-6-15)24-19(22)16-7-4-12-23-16/h4,7-12,15,17H,2-3,5-6H2,1H3,(H,20,21)
InChIKeyFQXYHNCMKGEAOU-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.54
Rot. Bonds5

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

[2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl] furan-2-carboxylate (PubChem CID 3220226) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is [2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl] furan-2-carboxylate.

Molecular Properties

Compound Name[2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl] furan-2-carboxylate
PubChem CID3220226
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name[2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl] furan-2-carboxylate
SMILESCc1ccc(C(OC(=O)c2ccco2)C(=O)NC2CCCC2)cc1
InChIInChI=1S/C19H21NO4/c1-13-8-10-14(11-9-13)17(18(21)20-15-5-2-3-6-15)24-19(22)16-7-4-12-23-16/h4,7-12,15,17H,2-3,5-6H2,1H3,(H,20,21)
InChIKeyFQXYHNCMKGEAOU-UHFFFAOYSA-N
XLogP3.54
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl] furan-2-carboxylate?
The IUPAC name of [2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl] furan-2-carboxylate (CID 3220226) is [2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl] furan-2-carboxylate.
What is the SMILES notation for [2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl] furan-2-carboxylate?
The canonical SMILES for [2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl] furan-2-carboxylate is Cc1ccc(C(OC(=O)c2ccco2)C(=O)NC2CCCC2)cc1.
What is the InChIKey of [2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl] furan-2-carboxylate?
The InChIKey is FQXYHNCMKGEAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-13-8-10-14(11-9-13)17(18(21)20-15-5-2-3-6-15)24-19(22)16-7-4-12-23-16/h4,7-12,15,17H,2-3,5-6H2,1H3,(H,20,21).
What are the key properties of [2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl] furan-2-carboxylate?
[2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl] furan-2-carboxylate has a molecular weight of 327.38 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl] furan-2-carboxylate is sourced from PubChem (CID 3220226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).