5-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-1-benzofuran-2-carboxamide

C15H18N2O3 — CID 114628214

IUPAC5-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-1-benzofuran-2-carboxamide
SMILESCC1(C)C(O)CC1NC(=O)c1cc2cc(N)ccc2o1
InChIInChI=1S/C15H18N2O3/c1-15(2)12(7-13(15)18)17-14(19)11-6-8-5-9(16)3-4-10(8)20-11/h3-6,12-13,18H,7,16H2,1-2H3,(H,17,19)
InChIKeyPVACOEVYPPULGF-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.90
Rot. Bonds2

About 5-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-1-benzofuran-2-carboxamide

5-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-1-benzofuran-2-carboxamide (PubChem CID 114628214) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 5-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-1-benzofuran-2-carboxamide
PubChem CID114628214
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name5-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-1-benzofuran-2-carboxamide
SMILESCC1(C)C(O)CC1NC(=O)c1cc2cc(N)ccc2o1
InChIInChI=1S/C15H18N2O3/c1-15(2)12(7-13(15)18)17-14(19)11-6-8-5-9(16)3-4-10(8)20-11/h3-6,12-13,18H,7,16H2,1-2H3,(H,17,19)
InChIKeyPVACOEVYPPULGF-UHFFFAOYSA-N
XLogP1.90
TPSA88.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 5-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-1-benzofuran-2-carboxamide (CID 114628214) is 5-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-1-benzofuran-2-carboxamide is CC1(C)C(O)CC1NC(=O)c1cc2cc(N)ccc2o1.
What is the InChIKey of 5-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-1-benzofuran-2-carboxamide?
The InChIKey is PVACOEVYPPULGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-15(2)12(7-13(15)18)17-14(19)11-6-8-5-9(16)3-4-10(8)20-11/h3-6,12-13,18H,7,16H2,1-2H3,(H,17,19).
What are the key properties of 5-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-1-benzofuran-2-carboxamide?
5-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-1-benzofuran-2-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 1.90, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 114628214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).