(2-oxocyclohexyl) 2-[(2-methylbenzoyl)amino]acetate

C16H19NO4 — CID 24981310

IUPAC(2-oxocyclohexyl) 2-[(2-methylbenzoyl)amino]acetate
SMILESCc1ccccc1C(=O)NCC(=O)OC1CCCCC1=O
InChIInChI=1S/C16H19NO4/c1-11-6-2-3-7-12(11)16(20)17-10-15(19)21-14-9-5-4-8-13(14)18/h2-3,6-7,14H,4-5,8-10H2,1H3,(H,17,20)
InChIKeyIMWJXTPHCLVPEH-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.78
Rot. Bonds4

About (2-oxocyclohexyl) 2-[(2-methylbenzoyl)amino]acetate

(2-oxocyclohexyl) 2-[(2-methylbenzoyl)amino]acetate (PubChem CID 24981310) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is (2-oxocyclohexyl) 2-[(2-methylbenzoyl)amino]acetate.

Molecular Properties

Compound Name(2-oxocyclohexyl) 2-[(2-methylbenzoyl)amino]acetate
PubChem CID24981310
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name(2-oxocyclohexyl) 2-[(2-methylbenzoyl)amino]acetate
SMILESCc1ccccc1C(=O)NCC(=O)OC1CCCCC1=O
InChIInChI=1S/C16H19NO4/c1-11-6-2-3-7-12(11)16(20)17-10-15(19)21-14-9-5-4-8-13(14)18/h2-3,6-7,14H,4-5,8-10H2,1H3,(H,17,20)
InChIKeyIMWJXTPHCLVPEH-UHFFFAOYSA-N
XLogP1.78
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-oxocyclohexyl) 2-[(2-methylbenzoyl)amino]acetate?
The IUPAC name of (2-oxocyclohexyl) 2-[(2-methylbenzoyl)amino]acetate (CID 24981310) is (2-oxocyclohexyl) 2-[(2-methylbenzoyl)amino]acetate.
What is the SMILES notation for (2-oxocyclohexyl) 2-[(2-methylbenzoyl)amino]acetate?
The canonical SMILES for (2-oxocyclohexyl) 2-[(2-methylbenzoyl)amino]acetate is Cc1ccccc1C(=O)NCC(=O)OC1CCCCC1=O.
What is the InChIKey of (2-oxocyclohexyl) 2-[(2-methylbenzoyl)amino]acetate?
The InChIKey is IMWJXTPHCLVPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c1-11-6-2-3-7-12(11)16(20)17-10-15(19)21-14-9-5-4-8-13(14)18/h2-3,6-7,14H,4-5,8-10H2,1H3,(H,17,20).
What are the key properties of (2-oxocyclohexyl) 2-[(2-methylbenzoyl)amino]acetate?
(2-oxocyclohexyl) 2-[(2-methylbenzoyl)amino]acetate has a molecular weight of 289.33 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxocyclohexyl) 2-[(2-methylbenzoyl)amino]acetate is sourced from PubChem (CID 24981310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).