(2-benzamido-2-oxoethyl) 3-acetamidobenzoate

C18H16N2O5 — CID 7418253

IUPAC(2-benzamido-2-oxoethyl) 3-acetamidobenzoate
SMILESCC(=O)Nc1cccc(C(=O)OCC(=O)NC(=O)c2ccccc2)c1
InChIInChI=1S/C18H16N2O5/c1-12(21)19-15-9-5-8-14(10-15)18(24)25-11-16(22)20-17(23)13-6-3-2-4-7-13/h2-10H,11H2,1H3,(H,19,21)(H,20,22,23)
InChIKeySHIFCOJCZBWWIL-UHFFFAOYSA-N
MW340.34 g/mol
LogP1.76
Rot. Bonds5

About (2-benzamido-2-oxoethyl) 3-acetamidobenzoate

(2-benzamido-2-oxoethyl) 3-acetamidobenzoate (PubChem CID 7418253) has the molecular formula C18H16N2O5 and a molecular weight of 340.34 g/mol. Its IUPAC name is (2-benzamido-2-oxoethyl) 3-acetamidobenzoate.

Molecular Properties

Compound Name(2-benzamido-2-oxoethyl) 3-acetamidobenzoate
PubChem CID7418253
Molecular FormulaC18H16N2O5
Molecular Weight340.34 g/mol
Exact Mass340.11
IUPAC Name(2-benzamido-2-oxoethyl) 3-acetamidobenzoate
SMILESCC(=O)Nc1cccc(C(=O)OCC(=O)NC(=O)c2ccccc2)c1
InChIInChI=1S/C18H16N2O5/c1-12(21)19-15-9-5-8-14(10-15)18(24)25-11-16(22)20-17(23)13-6-3-2-4-7-13/h2-10H,11H2,1H3,(H,19,21)(H,20,22,23)
InChIKeySHIFCOJCZBWWIL-UHFFFAOYSA-N
XLogP1.76
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-benzamido-2-oxoethyl) 3-acetamidobenzoate?
The IUPAC name of (2-benzamido-2-oxoethyl) 3-acetamidobenzoate (CID 7418253) is (2-benzamido-2-oxoethyl) 3-acetamidobenzoate.
What is the SMILES notation for (2-benzamido-2-oxoethyl) 3-acetamidobenzoate?
The canonical SMILES for (2-benzamido-2-oxoethyl) 3-acetamidobenzoate is CC(=O)Nc1cccc(C(=O)OCC(=O)NC(=O)c2ccccc2)c1.
What is the InChIKey of (2-benzamido-2-oxoethyl) 3-acetamidobenzoate?
The InChIKey is SHIFCOJCZBWWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O5/c1-12(21)19-15-9-5-8-14(10-15)18(24)25-11-16(22)20-17(23)13-6-3-2-4-7-13/h2-10H,11H2,1H3,(H,19,21)(H,20,22,23).
What are the key properties of (2-benzamido-2-oxoethyl) 3-acetamidobenzoate?
(2-benzamido-2-oxoethyl) 3-acetamidobenzoate has a molecular weight of 340.34 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzamido-2-oxoethyl) 3-acetamidobenzoate is sourced from PubChem (CID 7418253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).