(2-benzamido-2-oxoethyl) 2,5-dimethylbenzoate

C18H17NO4 — CID 2519727

IUPAC(2-benzamido-2-oxoethyl) 2,5-dimethylbenzoate
SMILESCc1ccc(C)c(C(=O)OCC(=O)NC(=O)c2ccccc2)c1
InChIInChI=1S/C18H17NO4/c1-12-8-9-13(2)15(10-12)18(22)23-11-16(20)19-17(21)14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,19,20,21)
InChIKeyPNVXZTFFWJXOFT-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.42
Rot. Bonds4

About (2-benzamido-2-oxoethyl) 2,5-dimethylbenzoate

(2-benzamido-2-oxoethyl) 2,5-dimethylbenzoate (PubChem CID 2519727) has the molecular formula C18H17NO4 and a molecular weight of 311.34 g/mol. Its IUPAC name is (2-benzamido-2-oxoethyl) 2,5-dimethylbenzoate.

Molecular Properties

Compound Name(2-benzamido-2-oxoethyl) 2,5-dimethylbenzoate
PubChem CID2519727
Molecular FormulaC18H17NO4
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC Name(2-benzamido-2-oxoethyl) 2,5-dimethylbenzoate
SMILESCc1ccc(C)c(C(=O)OCC(=O)NC(=O)c2ccccc2)c1
InChIInChI=1S/C18H17NO4/c1-12-8-9-13(2)15(10-12)18(22)23-11-16(20)19-17(21)14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,19,20,21)
InChIKeyPNVXZTFFWJXOFT-UHFFFAOYSA-N
XLogP2.42
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2-benzamido-2-oxoethyl) 2,5-dimethylbenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-benzamido-2-oxoethyl) 2-methyl-5-methylsulfonylbenzoate
CID 7849505
[2-(carbamoylamino)-2-oxoethyl] 2,5-dimethylbenzoate
CID 2519687
(2-anilino-2-oxoethyl) 2,5-dimethylbenzoate
CID 2519928
[2-(4-benzamidophenyl)-2-oxoethyl] 2,5-dimethylbenzoate
CID 7628104
[2-(benzylamino)-2-oxoethyl] 2,5-dimethylbenzoate
CID 2519930
(2-benzamido-2-oxoethyl) 2-hydroxy-3-methylbenzoate
CID 7416144
[2-(benzhydrylamino)-2-oxoethyl] 2,5-dimethylbenzoate
CID 2519942
(2-benzamido-2-oxoethyl) 2-chlorobenzoate
CID 2624247
[2-(3-acetylanilino)-2-oxoethyl] 2,5-dimethylbenzoate
CID 2336326
[2-(2-bromoanilino)-2-oxoethyl] 2,5-dimethylbenzoate
CID 2520073
(2-benzamido-2-oxoethyl) 3-methyl-4-nitrobenzoate
CID 8629913
[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2,5-dimethylbenzoate
CID 27213210

Frequently Asked Questions

What is the IUPAC name of (2-benzamido-2-oxoethyl) 2,5-dimethylbenzoate?
The IUPAC name of (2-benzamido-2-oxoethyl) 2,5-dimethylbenzoate (CID 2519727) is (2-benzamido-2-oxoethyl) 2,5-dimethylbenzoate.
What is the SMILES notation for (2-benzamido-2-oxoethyl) 2,5-dimethylbenzoate?
The canonical SMILES for (2-benzamido-2-oxoethyl) 2,5-dimethylbenzoate is Cc1ccc(C)c(C(=O)OCC(=O)NC(=O)c2ccccc2)c1.
What is the InChIKey of (2-benzamido-2-oxoethyl) 2,5-dimethylbenzoate?
The InChIKey is PNVXZTFFWJXOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4/c1-12-8-9-13(2)15(10-12)18(22)23-11-16(20)19-17(21)14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,19,20,21).
What are the key properties of (2-benzamido-2-oxoethyl) 2,5-dimethylbenzoate?
(2-benzamido-2-oxoethyl) 2,5-dimethylbenzoate has a molecular weight of 311.34 g/mol, XLogP of 2.42, 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) 2,5-dimethylbenzoate is sourced from PubChem (CID 2519727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).