[2-(4-carbamoylanilino)-2-oxoethyl] 3-cyclopentylpropanoate

C17H22N2O4 — CID 2434257

IUPAC[2-(4-carbamoylanilino)-2-oxoethyl] 3-cyclopentylpropanoate
SMILESNC(=O)c1ccc(NC(=O)COC(=O)CCC2CCCC2)cc1
InChIInChI=1S/C17H22N2O4/c18-17(22)13-6-8-14(9-7-13)19-15(20)11-23-16(21)10-5-12-3-1-2-4-12/h6-9,12H,1-5,10-11H2,(H2,18,22)(H,19,20)
InChIKeyKUHFLDCKQOATRY-UHFFFAOYSA-N
MW318.37 g/mol
LogP2.24
Rot. Bonds7

About [2-(4-carbamoylanilino)-2-oxoethyl] 3-cyclopentylpropanoate

[2-(4-carbamoylanilino)-2-oxoethyl] 3-cyclopentylpropanoate (PubChem CID 2434257) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is [2-(4-carbamoylanilino)-2-oxoethyl] 3-cyclopentylpropanoate.

Molecular Properties

Compound Name[2-(4-carbamoylanilino)-2-oxoethyl] 3-cyclopentylpropanoate
PubChem CID2434257
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name[2-(4-carbamoylanilino)-2-oxoethyl] 3-cyclopentylpropanoate
SMILESNC(=O)c1ccc(NC(=O)COC(=O)CCC2CCCC2)cc1
InChIInChI=1S/C17H22N2O4/c18-17(22)13-6-8-14(9-7-13)19-15(20)11-23-16(21)10-5-12-3-1-2-4-12/h6-9,12H,1-5,10-11H2,(H2,18,22)(H,19,20)
InChIKeyKUHFLDCKQOATRY-UHFFFAOYSA-N
XLogP2.24
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(4-carbamoylanilino)-2-oxoethyl] 3-cyclopentylpropanoate?
The IUPAC name of [2-(4-carbamoylanilino)-2-oxoethyl] 3-cyclopentylpropanoate (CID 2434257) is [2-(4-carbamoylanilino)-2-oxoethyl] 3-cyclopentylpropanoate.
What is the SMILES notation for [2-(4-carbamoylanilino)-2-oxoethyl] 3-cyclopentylpropanoate?
The canonical SMILES for [2-(4-carbamoylanilino)-2-oxoethyl] 3-cyclopentylpropanoate is NC(=O)c1ccc(NC(=O)COC(=O)CCC2CCCC2)cc1.
What is the InChIKey of [2-(4-carbamoylanilino)-2-oxoethyl] 3-cyclopentylpropanoate?
The InChIKey is KUHFLDCKQOATRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c18-17(22)13-6-8-14(9-7-13)19-15(20)11-23-16(21)10-5-12-3-1-2-4-12/h6-9,12H,1-5,10-11H2,(H2,18,22)(H,19,20).
What are the key properties of [2-(4-carbamoylanilino)-2-oxoethyl] 3-cyclopentylpropanoate?
[2-(4-carbamoylanilino)-2-oxoethyl] 3-cyclopentylpropanoate has a molecular weight of 318.37 g/mol, XLogP of 2.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-carbamoylanilino)-2-oxoethyl] 3-cyclopentylpropanoate is sourced from PubChem (CID 2434257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).