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

C18H24N2O4 — CID 2416940

IUPAC[2-(4-carbamoylanilino)-2-oxoethyl] 3-cyclohexylpropanoate
SMILESNC(=O)c1ccc(NC(=O)COC(=O)CCC2CCCCC2)cc1
InChIInChI=1S/C18H24N2O4/c19-18(23)14-7-9-15(10-8-14)20-16(21)12-24-17(22)11-6-13-4-2-1-3-5-13/h7-10,13H,1-6,11-12H2,(H2,19,23)(H,20,21)
InChIKeyFMPNFUHUVNCZQK-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.63
Rot. Bonds7

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

[2-(4-carbamoylanilino)-2-oxoethyl] 3-cyclohexylpropanoate (PubChem CID 2416940) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is [2-(4-carbamoylanilino)-2-oxoethyl] 3-cyclohexylpropanoate.

Molecular Properties

Compound Name[2-(4-carbamoylanilino)-2-oxoethyl] 3-cyclohexylpropanoate
PubChem CID2416940
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name[2-(4-carbamoylanilino)-2-oxoethyl] 3-cyclohexylpropanoate
SMILESNC(=O)c1ccc(NC(=O)COC(=O)CCC2CCCCC2)cc1
InChIInChI=1S/C18H24N2O4/c19-18(23)14-7-9-15(10-8-14)20-16(21)12-24-17(22)11-6-13-4-2-1-3-5-13/h7-10,13H,1-6,11-12H2,(H2,19,23)(H,20,21)
InChIKeyFMPNFUHUVNCZQK-UHFFFAOYSA-N
XLogP2.63
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.63
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-cyclohexylpropanoate?
The IUPAC name of [2-(4-carbamoylanilino)-2-oxoethyl] 3-cyclohexylpropanoate (CID 2416940) is [2-(4-carbamoylanilino)-2-oxoethyl] 3-cyclohexylpropanoate.
What is the SMILES notation for [2-(4-carbamoylanilino)-2-oxoethyl] 3-cyclohexylpropanoate?
The canonical SMILES for [2-(4-carbamoylanilino)-2-oxoethyl] 3-cyclohexylpropanoate is NC(=O)c1ccc(NC(=O)COC(=O)CCC2CCCCC2)cc1.
What is the InChIKey of [2-(4-carbamoylanilino)-2-oxoethyl] 3-cyclohexylpropanoate?
The InChIKey is FMPNFUHUVNCZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c19-18(23)14-7-9-15(10-8-14)20-16(21)12-24-17(22)11-6-13-4-2-1-3-5-13/h7-10,13H,1-6,11-12H2,(H2,19,23)(H,20,21).
What are the key properties of [2-(4-carbamoylanilino)-2-oxoethyl] 3-cyclohexylpropanoate?
[2-(4-carbamoylanilino)-2-oxoethyl] 3-cyclohexylpropanoate has a molecular weight of 332.40 g/mol, XLogP of 2.63, 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-cyclohexylpropanoate is sourced from PubChem (CID 2416940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).