[2-(4-ethylphenyl)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate

C19H25NO4 — CID 2419555

IUPAC[2-(4-ethylphenyl)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
SMILESCCc1ccc(C(=O)COC(=O)CNC(=O)C2CCCCC2)cc1
InChIInChI=1S/C19H25NO4/c1-2-14-8-10-15(11-9-14)17(21)13-24-18(22)12-20-19(23)16-6-4-3-5-7-16/h8-11,16H,2-7,12-13H2,1H3,(H,20,23)
InChIKeyAPLKBVPYDBFCGX-UHFFFAOYSA-N
MW331.41 g/mol
LogP2.67
Rot. Bonds7

About [2-(4-ethylphenyl)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate

[2-(4-ethylphenyl)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate (PubChem CID 2419555) has the molecular formula C19H25NO4 and a molecular weight of 331.41 g/mol. Its IUPAC name is [2-(4-ethylphenyl)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate.

Molecular Properties

Compound Name[2-(4-ethylphenyl)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
PubChem CID2419555
Molecular FormulaC19H25NO4
Molecular Weight331.41 g/mol
Exact Mass331.18
IUPAC Name[2-(4-ethylphenyl)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
SMILESCCc1ccc(C(=O)COC(=O)CNC(=O)C2CCCCC2)cc1
InChIInChI=1S/C19H25NO4/c1-2-14-8-10-15(11-9-14)17(21)13-24-18(22)12-20-19(23)16-6-4-3-5-7-16/h8-11,16H,2-7,12-13H2,1H3,(H,20,23)
InChIKeyAPLKBVPYDBFCGX-UHFFFAOYSA-N
XLogP2.67
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(4-ethylphenyl)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate?
The IUPAC name of [2-(4-ethylphenyl)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate (CID 2419555) is [2-(4-ethylphenyl)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate.
What is the SMILES notation for [2-(4-ethylphenyl)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate?
The canonical SMILES for [2-(4-ethylphenyl)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate is CCc1ccc(C(=O)COC(=O)CNC(=O)C2CCCCC2)cc1.
What is the InChIKey of [2-(4-ethylphenyl)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate?
The InChIKey is APLKBVPYDBFCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO4/c1-2-14-8-10-15(11-9-14)17(21)13-24-18(22)12-20-19(23)16-6-4-3-5-7-16/h8-11,16H,2-7,12-13H2,1H3,(H,20,23).
What are the key properties of [2-(4-ethylphenyl)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate?
[2-(4-ethylphenyl)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate has a molecular weight of 331.41 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethylphenyl)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate is sourced from PubChem (CID 2419555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).