7-tert-butyl-N-cyclopropyl-N,3,3-trimethyl-2H-1-benzofuran-5-carboxamide

C19H27NO2 — CID 10709447

IUPAC7-tert-butyl-N-cyclopropyl-N,3,3-trimethyl-2H-1-benzofuran-5-carboxamide
SMILESCN(C(=O)c1cc(C(C)(C)C)c2c(c1)C(C)(C)CO2)C1CC1
InChIInChI=1S/C19H27NO2/c1-18(2,3)14-9-12(17(21)20(6)13-7-8-13)10-15-16(14)22-11-19(15,4)5/h9-10,13H,7-8,11H2,1-6H3
InChIKeyHNYCLIXXFVNJEY-UHFFFAOYSA-N
MW301.43 g/mol
LogP3.89
Rot. Bonds2

About 7-tert-butyl-N-cyclopropyl-N,3,3-trimethyl-2H-1-benzofuran-5-carboxamide

7-tert-butyl-N-cyclopropyl-N,3,3-trimethyl-2H-1-benzofuran-5-carboxamide (PubChem CID 10709447) has the molecular formula C19H27NO2 and a molecular weight of 301.43 g/mol. Its IUPAC name is 7-tert-butyl-N-cyclopropyl-N,3,3-trimethyl-2H-1-benzofuran-5-carboxamide.

Molecular Properties

Compound Name7-tert-butyl-N-cyclopropyl-N,3,3-trimethyl-2H-1-benzofuran-5-carboxamide
PubChem CID10709447
Molecular FormulaC19H27NO2
Molecular Weight301.43 g/mol
Exact Mass301.20
IUPAC Name7-tert-butyl-N-cyclopropyl-N,3,3-trimethyl-2H-1-benzofuran-5-carboxamide
SMILESCN(C(=O)c1cc(C(C)(C)C)c2c(c1)C(C)(C)CO2)C1CC1
InChIInChI=1S/C19H27NO2/c1-18(2,3)14-9-12(17(21)20(6)13-7-8-13)10-15-16(14)22-11-19(15,4)5/h9-10,13H,7-8,11H2,1-6H3
InChIKeyHNYCLIXXFVNJEY-UHFFFAOYSA-N
XLogP3.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-tert-butyl-N-cyclopropyl-N,3,3-trimethyl-2H-1-benzofuran-5-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 7-tert-butyl-N-cyclopropyl-N,3,3-trimethyl-2H-1-benzofuran-5-carboxamide?
The IUPAC name of 7-tert-butyl-N-cyclopropyl-N,3,3-trimethyl-2H-1-benzofuran-5-carboxamide (CID 10709447) is 7-tert-butyl-N-cyclopropyl-N,3,3-trimethyl-2H-1-benzofuran-5-carboxamide.
What is the SMILES notation for 7-tert-butyl-N-cyclopropyl-N,3,3-trimethyl-2H-1-benzofuran-5-carboxamide?
The canonical SMILES for 7-tert-butyl-N-cyclopropyl-N,3,3-trimethyl-2H-1-benzofuran-5-carboxamide is CN(C(=O)c1cc(C(C)(C)C)c2c(c1)C(C)(C)CO2)C1CC1.
What is the InChIKey of 7-tert-butyl-N-cyclopropyl-N,3,3-trimethyl-2H-1-benzofuran-5-carboxamide?
The InChIKey is HNYCLIXXFVNJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO2/c1-18(2,3)14-9-12(17(21)20(6)13-7-8-13)10-15-16(14)22-11-19(15,4)5/h9-10,13H,7-8,11H2,1-6H3.
What are the key properties of 7-tert-butyl-N-cyclopropyl-N,3,3-trimethyl-2H-1-benzofuran-5-carboxamide?
7-tert-butyl-N-cyclopropyl-N,3,3-trimethyl-2H-1-benzofuran-5-carboxamide has a molecular weight of 301.43 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-N-cyclopropyl-N,3,3-trimethyl-2H-1-benzofuran-5-carboxamide is sourced from PubChem (CID 10709447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).