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

C19H21NO5 — CID 3220234

IUPAC[2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl] furan-2-carboxylate
SMILESCOc1ccc(C(OC(=O)c2ccco2)C(=O)NC2CCCC2)cc1
InChIInChI=1S/C19H21NO5/c1-23-15-10-8-13(9-11-15)17(18(21)20-14-5-2-3-6-14)25-19(22)16-7-4-12-24-16/h4,7-12,14,17H,2-3,5-6H2,1H3,(H,20,21)
InChIKeyGWIIQRUDOULCON-UHFFFAOYSA-N
MW343.38 g/mol
LogP3.25
Rot. Bonds6

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

[2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl] furan-2-carboxylate (PubChem CID 3220234) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is [2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl] furan-2-carboxylate.

Molecular Properties

Compound Name[2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl] furan-2-carboxylate
PubChem CID3220234
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC Name[2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl] furan-2-carboxylate
SMILESCOc1ccc(C(OC(=O)c2ccco2)C(=O)NC2CCCC2)cc1
InChIInChI=1S/C19H21NO5/c1-23-15-10-8-13(9-11-15)17(18(21)20-14-5-2-3-6-14)25-19(22)16-7-4-12-24-16/h4,7-12,14,17H,2-3,5-6H2,1H3,(H,20,21)
InChIKeyGWIIQRUDOULCON-UHFFFAOYSA-N
XLogP3.25
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl] furan-2-carboxylate?
The IUPAC name of [2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl] furan-2-carboxylate (CID 3220234) is [2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl] furan-2-carboxylate.
What is the SMILES notation for [2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl] furan-2-carboxylate?
The canonical SMILES for [2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl] furan-2-carboxylate is COc1ccc(C(OC(=O)c2ccco2)C(=O)NC2CCCC2)cc1.
What is the InChIKey of [2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl] furan-2-carboxylate?
The InChIKey is GWIIQRUDOULCON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5/c1-23-15-10-8-13(9-11-15)17(18(21)20-14-5-2-3-6-14)25-19(22)16-7-4-12-24-16/h4,7-12,14,17H,2-3,5-6H2,1H3,(H,20,21).
What are the key properties of [2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl] furan-2-carboxylate?
[2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl] furan-2-carboxylate has a molecular weight of 343.38 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl] furan-2-carboxylate is sourced from PubChem (CID 3220234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).