2,3-dimethyl-N-propan-2-yl-2,3-dihydro-1-benzofuran-7-carboxamide

C14H19NO2 — CID 18097619

IUPAC2,3-dimethyl-N-propan-2-yl-2,3-dihydro-1-benzofuran-7-carboxamide
SMILESCC(C)NC(=O)c1cccc2c1OC(C)C2C
InChIInChI=1S/C14H19NO2/c1-8(2)15-14(16)12-7-5-6-11-9(3)10(4)17-13(11)12/h5-10H,1-4H3,(H,15,16)
InChIKeyFPOVKXGIJXNERT-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.71
Rot. Bonds2

About 2,3-dimethyl-N-propan-2-yl-2,3-dihydro-1-benzofuran-7-carboxamide

2,3-dimethyl-N-propan-2-yl-2,3-dihydro-1-benzofuran-7-carboxamide (PubChem CID 18097619) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2,3-dimethyl-N-propan-2-yl-2,3-dihydro-1-benzofuran-7-carboxamide.

Molecular Properties

Compound Name2,3-dimethyl-N-propan-2-yl-2,3-dihydro-1-benzofuran-7-carboxamide
PubChem CID18097619
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name2,3-dimethyl-N-propan-2-yl-2,3-dihydro-1-benzofuran-7-carboxamide
SMILESCC(C)NC(=O)c1cccc2c1OC(C)C2C
InChIInChI=1S/C14H19NO2/c1-8(2)15-14(16)12-7-5-6-11-9(3)10(4)17-13(11)12/h5-10H,1-4H3,(H,15,16)
InChIKeyFPOVKXGIJXNERT-UHFFFAOYSA-N
XLogP2.71
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,3-dimethyl-N-propan-2-yl-2,3-dihydro-1-benzofuran-7-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 2,3-dimethyl-N-propan-2-yl-2,3-dihydro-1-benzofuran-7-carboxamide?
The IUPAC name of 2,3-dimethyl-N-propan-2-yl-2,3-dihydro-1-benzofuran-7-carboxamide (CID 18097619) is 2,3-dimethyl-N-propan-2-yl-2,3-dihydro-1-benzofuran-7-carboxamide.
What is the SMILES notation for 2,3-dimethyl-N-propan-2-yl-2,3-dihydro-1-benzofuran-7-carboxamide?
The canonical SMILES for 2,3-dimethyl-N-propan-2-yl-2,3-dihydro-1-benzofuran-7-carboxamide is CC(C)NC(=O)c1cccc2c1OC(C)C2C.
What is the InChIKey of 2,3-dimethyl-N-propan-2-yl-2,3-dihydro-1-benzofuran-7-carboxamide?
The InChIKey is FPOVKXGIJXNERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-8(2)15-14(16)12-7-5-6-11-9(3)10(4)17-13(11)12/h5-10H,1-4H3,(H,15,16).
What are the key properties of 2,3-dimethyl-N-propan-2-yl-2,3-dihydro-1-benzofuran-7-carboxamide?
2,3-dimethyl-N-propan-2-yl-2,3-dihydro-1-benzofuran-7-carboxamide has a molecular weight of 233.31 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-propan-2-yl-2,3-dihydro-1-benzofuran-7-carboxamide is sourced from PubChem (CID 18097619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).