N-ethyl-3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxamide

C14H19NO3 — CID 972463

IUPACN-ethyl-3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxamide
SMILESCCNC(=O)c1oc2c(c1C)C(=O)CC(C)(C)C2
InChIInChI=1S/C14H19NO3/c1-5-15-13(17)12-8(2)11-9(16)6-14(3,4)7-10(11)18-12/h5-7H2,1-4H3,(H,15,17)
InChIKeyAIOHQVRYRUWFNJ-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.49
Rot. Bonds2

About N-ethyl-3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxamide

N-ethyl-3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxamide (PubChem CID 972463) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-ethyl-3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxamide
PubChem CID972463
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC NameN-ethyl-3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxamide
SMILESCCNC(=O)c1oc2c(c1C)C(=O)CC(C)(C)C2
InChIInChI=1S/C14H19NO3/c1-5-15-13(17)12-8(2)11-9(16)6-14(3,4)7-10(11)18-12/h5-7H2,1-4H3,(H,15,17)
InChIKeyAIOHQVRYRUWFNJ-UHFFFAOYSA-N
XLogP2.49
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxamide 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 N-ethyl-3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of N-ethyl-3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxamide (CID 972463) is N-ethyl-3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-ethyl-3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for N-ethyl-3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxamide is CCNC(=O)c1oc2c(c1C)C(=O)CC(C)(C)C2.
What is the InChIKey of N-ethyl-3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is AIOHQVRYRUWFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-5-15-13(17)12-8(2)11-9(16)6-14(3,4)7-10(11)18-12/h5-7H2,1-4H3,(H,15,17).
What are the key properties of N-ethyl-3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxamide?
N-ethyl-3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 972463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).