[2-(benzylamino)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate

C19H17NO4 — CID 2653268

IUPAC[2-(benzylamino)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate
SMILESCc1c(C(=O)OCC(=O)NCc2ccccc2)oc2ccccc12
InChIInChI=1S/C19H17NO4/c1-13-15-9-5-6-10-16(15)24-18(13)19(22)23-12-17(21)20-11-14-7-3-2-4-8-14/h2-10H,11-12H2,1H3,(H,20,21)
InChIKeyQQNZDTXOPODDIG-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.21
Rot. Bonds5

About [2-(benzylamino)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate

[2-(benzylamino)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate (PubChem CID 2653268) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is [2-(benzylamino)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Name[2-(benzylamino)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate
PubChem CID2653268
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Name[2-(benzylamino)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate
SMILESCc1c(C(=O)OCC(=O)NCc2ccccc2)oc2ccccc12
InChIInChI=1S/C19H17NO4/c1-13-15-9-5-6-10-16(15)24-18(13)19(22)23-12-17(21)20-11-14-7-3-2-4-8-14/h2-10H,11-12H2,1H3,(H,20,21)
InChIKeyQQNZDTXOPODDIG-UHFFFAOYSA-N
XLogP3.21
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(benzylamino)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(benzylamino)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate?
The IUPAC name of [2-(benzylamino)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate (CID 2653268) is [2-(benzylamino)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate.
What is the SMILES notation for [2-(benzylamino)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate?
The canonical SMILES for [2-(benzylamino)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate is Cc1c(C(=O)OCC(=O)NCc2ccccc2)oc2ccccc12.
What is the InChIKey of [2-(benzylamino)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate?
The InChIKey is QQNZDTXOPODDIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4/c1-13-15-9-5-6-10-16(15)24-18(13)19(22)23-12-17(21)20-11-14-7-3-2-4-8-14/h2-10H,11-12H2,1H3,(H,20,21).
What are the key properties of [2-(benzylamino)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate?
[2-(benzylamino)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate has a molecular weight of 323.35 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzylamino)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate is sourced from PubChem (CID 2653268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).