(2-benzamido-2-oxoethyl) 2,4,6-trimethylbenzoate

C19H19NO4 — CID 7472903

IUPAC(2-benzamido-2-oxoethyl) 2,4,6-trimethylbenzoate
SMILESCc1cc(C)c(C(=O)OCC(=O)NC(=O)c2ccccc2)c(C)c1
InChIInChI=1S/C19H19NO4/c1-12-9-13(2)17(14(3)10-12)19(23)24-11-16(21)20-18(22)15-7-5-4-6-8-15/h4-10H,11H2,1-3H3,(H,20,21,22)
InChIKeyFFKSCZFCDIRXGT-UHFFFAOYSA-N
MW325.36 g/mol
LogP2.73
Rot. Bonds4

About (2-benzamido-2-oxoethyl) 2,4,6-trimethylbenzoate

(2-benzamido-2-oxoethyl) 2,4,6-trimethylbenzoate (PubChem CID 7472903) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is (2-benzamido-2-oxoethyl) 2,4,6-trimethylbenzoate.

Molecular Properties

Compound Name(2-benzamido-2-oxoethyl) 2,4,6-trimethylbenzoate
PubChem CID7472903
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name(2-benzamido-2-oxoethyl) 2,4,6-trimethylbenzoate
SMILESCc1cc(C)c(C(=O)OCC(=O)NC(=O)c2ccccc2)c(C)c1
InChIInChI=1S/C19H19NO4/c1-12-9-13(2)17(14(3)10-12)19(23)24-11-16(21)20-18(22)15-7-5-4-6-8-15/h4-10H,11H2,1-3H3,(H,20,21,22)
InChIKeyFFKSCZFCDIRXGT-UHFFFAOYSA-N
XLogP2.73
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 52.73
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) 2,4,6-trimethylbenzoate?
The IUPAC name of (2-benzamido-2-oxoethyl) 2,4,6-trimethylbenzoate (CID 7472903) is (2-benzamido-2-oxoethyl) 2,4,6-trimethylbenzoate.
What is the SMILES notation for (2-benzamido-2-oxoethyl) 2,4,6-trimethylbenzoate?
The canonical SMILES for (2-benzamido-2-oxoethyl) 2,4,6-trimethylbenzoate is Cc1cc(C)c(C(=O)OCC(=O)NC(=O)c2ccccc2)c(C)c1.
What is the InChIKey of (2-benzamido-2-oxoethyl) 2,4,6-trimethylbenzoate?
The InChIKey is FFKSCZFCDIRXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-12-9-13(2)17(14(3)10-12)19(23)24-11-16(21)20-18(22)15-7-5-4-6-8-15/h4-10H,11H2,1-3H3,(H,20,21,22).
What are the key properties of (2-benzamido-2-oxoethyl) 2,4,6-trimethylbenzoate?
(2-benzamido-2-oxoethyl) 2,4,6-trimethylbenzoate has a molecular weight of 325.36 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzamido-2-oxoethyl) 2,4,6-trimethylbenzoate is sourced from PubChem (CID 7472903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).