(2-anilino-2-oxoethyl) 2-(cyclohexanecarbonylamino)acetate

C17H22N2O4 — CID 2547365

IUPAC(2-anilino-2-oxoethyl) 2-(cyclohexanecarbonylamino)acetate
SMILESO=C(COC(=O)CNC(=O)C1CCCCC1)Nc1ccccc1
InChIInChI=1S/C17H22N2O4/c20-15(19-14-9-5-2-6-10-14)12-23-16(21)11-18-17(22)13-7-3-1-4-8-13/h2,5-6,9-10,13H,1,3-4,7-8,11-12H2,(H,18,22)(H,19,20)
InChIKeyBECGZTFUSDCTGR-UHFFFAOYSA-N
MW318.37 g/mol
LogP1.86
Rot. Bonds6

About (2-anilino-2-oxoethyl) 2-(cyclohexanecarbonylamino)acetate

(2-anilino-2-oxoethyl) 2-(cyclohexanecarbonylamino)acetate (PubChem CID 2547365) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is (2-anilino-2-oxoethyl) 2-(cyclohexanecarbonylamino)acetate.

Molecular Properties

Compound Name(2-anilino-2-oxoethyl) 2-(cyclohexanecarbonylamino)acetate
PubChem CID2547365
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name(2-anilino-2-oxoethyl) 2-(cyclohexanecarbonylamino)acetate
SMILESO=C(COC(=O)CNC(=O)C1CCCCC1)Nc1ccccc1
InChIInChI=1S/C17H22N2O4/c20-15(19-14-9-5-2-6-10-14)12-23-16(21)11-18-17(22)13-7-3-1-4-8-13/h2,5-6,9-10,13H,1,3-4,7-8,11-12H2,(H,18,22)(H,19,20)
InChIKeyBECGZTFUSDCTGR-UHFFFAOYSA-N
XLogP1.86
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-anilino-2-oxoethyl) 2-(cyclohexanecarbonylamino)acetate?
The IUPAC name of (2-anilino-2-oxoethyl) 2-(cyclohexanecarbonylamino)acetate (CID 2547365) is (2-anilino-2-oxoethyl) 2-(cyclohexanecarbonylamino)acetate.
What is the SMILES notation for (2-anilino-2-oxoethyl) 2-(cyclohexanecarbonylamino)acetate?
The canonical SMILES for (2-anilino-2-oxoethyl) 2-(cyclohexanecarbonylamino)acetate is O=C(COC(=O)CNC(=O)C1CCCCC1)Nc1ccccc1.
What is the InChIKey of (2-anilino-2-oxoethyl) 2-(cyclohexanecarbonylamino)acetate?
The InChIKey is BECGZTFUSDCTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c20-15(19-14-9-5-2-6-10-14)12-23-16(21)11-18-17(22)13-7-3-1-4-8-13/h2,5-6,9-10,13H,1,3-4,7-8,11-12H2,(H,18,22)(H,19,20).
What are the key properties of (2-anilino-2-oxoethyl) 2-(cyclohexanecarbonylamino)acetate?
(2-anilino-2-oxoethyl) 2-(cyclohexanecarbonylamino)acetate has a molecular weight of 318.37 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilino-2-oxoethyl) 2-(cyclohexanecarbonylamino)acetate is sourced from PubChem (CID 2547365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).