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

C18H25NO2 — CID 10517413

IUPAC7-tert-butyl-N-cyclopropyl-3,3-dimethyl-2H-1-benzofuran-5-carboxamide
SMILESCC(C)(C)c1cc(C(=O)NC2CC2)cc2c1OCC2(C)C
InChIInChI=1S/C18H25NO2/c1-17(2,3)13-8-11(16(20)19-12-6-7-12)9-14-15(13)21-10-18(14,4)5/h8-9,12H,6-7,10H2,1-5H3,(H,19,20)
InChIKeyDARUDEIEANYQOK-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.55
Rot. Bonds2

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

7-tert-butyl-N-cyclopropyl-3,3-dimethyl-2H-1-benzofuran-5-carboxamide (PubChem CID 10517413) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 7-tert-butyl-N-cyclopropyl-3,3-dimethyl-2H-1-benzofuran-5-carboxamide.

Molecular Properties

Compound Name7-tert-butyl-N-cyclopropyl-3,3-dimethyl-2H-1-benzofuran-5-carboxamide
PubChem CID10517413
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name7-tert-butyl-N-cyclopropyl-3,3-dimethyl-2H-1-benzofuran-5-carboxamide
SMILESCC(C)(C)c1cc(C(=O)NC2CC2)cc2c1OCC2(C)C
InChIInChI=1S/C18H25NO2/c1-17(2,3)13-8-11(16(20)19-12-6-7-12)9-14-15(13)21-10-18(14,4)5/h8-9,12H,6-7,10H2,1-5H3,(H,19,20)
InChIKeyDARUDEIEANYQOK-UHFFFAOYSA-N
XLogP3.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-N-cyclopropyl-3,3-dimethyl-2H-1-benzofuran-5-carboxamide?
The IUPAC name of 7-tert-butyl-N-cyclopropyl-3,3-dimethyl-2H-1-benzofuran-5-carboxamide (CID 10517413) is 7-tert-butyl-N-cyclopropyl-3,3-dimethyl-2H-1-benzofuran-5-carboxamide.
What is the SMILES notation for 7-tert-butyl-N-cyclopropyl-3,3-dimethyl-2H-1-benzofuran-5-carboxamide?
The canonical SMILES for 7-tert-butyl-N-cyclopropyl-3,3-dimethyl-2H-1-benzofuran-5-carboxamide is CC(C)(C)c1cc(C(=O)NC2CC2)cc2c1OCC2(C)C.
What is the InChIKey of 7-tert-butyl-N-cyclopropyl-3,3-dimethyl-2H-1-benzofuran-5-carboxamide?
The InChIKey is DARUDEIEANYQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-17(2,3)13-8-11(16(20)19-12-6-7-12)9-14-15(13)21-10-18(14,4)5/h8-9,12H,6-7,10H2,1-5H3,(H,19,20).
What are the key properties of 7-tert-butyl-N-cyclopropyl-3,3-dimethyl-2H-1-benzofuran-5-carboxamide?
7-tert-butyl-N-cyclopropyl-3,3-dimethyl-2H-1-benzofuran-5-carboxamide has a molecular weight of 287.40 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-N-cyclopropyl-3,3-dimethyl-2H-1-benzofuran-5-carboxamide is sourced from PubChem (CID 10517413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).