(2-benzamido-2-oxoethyl) 2-phenylbutanoate

C19H19NO4 — CID 16528422

IUPAC(2-benzamido-2-oxoethyl) 2-phenylbutanoate
SMILESCCC(C(=O)OCC(=O)NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H19NO4/c1-2-16(14-9-5-3-6-10-14)19(23)24-13-17(21)20-18(22)15-11-7-4-8-12-15/h3-12,16H,2,13H2,1H3,(H,20,21,22)
InChIKeyQGOOJGCDCVQSNW-UHFFFAOYSA-N
MW325.36 g/mol
LogP2.68
Rot. Bonds6

About (2-benzamido-2-oxoethyl) 2-phenylbutanoate

(2-benzamido-2-oxoethyl) 2-phenylbutanoate (PubChem CID 16528422) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is (2-benzamido-2-oxoethyl) 2-phenylbutanoate.

Molecular Properties

Compound Name(2-benzamido-2-oxoethyl) 2-phenylbutanoate
PubChem CID16528422
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name(2-benzamido-2-oxoethyl) 2-phenylbutanoate
SMILESCCC(C(=O)OCC(=O)NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H19NO4/c1-2-16(14-9-5-3-6-10-14)19(23)24-13-17(21)20-18(22)15-11-7-4-8-12-15/h3-12,16H,2,13H2,1H3,(H,20,21,22)
InChIKeyQGOOJGCDCVQSNW-UHFFFAOYSA-N
XLogP2.68
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-benzamido-2-oxoethyl) 2-phenylbutanoate?
The IUPAC name of (2-benzamido-2-oxoethyl) 2-phenylbutanoate (CID 16528422) is (2-benzamido-2-oxoethyl) 2-phenylbutanoate.
What is the SMILES notation for (2-benzamido-2-oxoethyl) 2-phenylbutanoate?
The canonical SMILES for (2-benzamido-2-oxoethyl) 2-phenylbutanoate is CCC(C(=O)OCC(=O)NC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of (2-benzamido-2-oxoethyl) 2-phenylbutanoate?
The InChIKey is QGOOJGCDCVQSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-2-16(14-9-5-3-6-10-14)19(23)24-13-17(21)20-18(22)15-11-7-4-8-12-15/h3-12,16H,2,13H2,1H3,(H,20,21,22).
What are the key properties of (2-benzamido-2-oxoethyl) 2-phenylbutanoate?
(2-benzamido-2-oxoethyl) 2-phenylbutanoate has a molecular weight of 325.36 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzamido-2-oxoethyl) 2-phenylbutanoate is sourced from PubChem (CID 16528422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).