propan-2-yl 5-[[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]carbamoyl]-1-benzofuran-3-carboxylate

C19H22N2O4 — CID 91012469

IUPACpropan-2-yl 5-[[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]carbamoyl]-1-benzofuran-3-carboxylate
SMILESCC(C)OC(=O)c1coc2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)cc12
InChIInChI=1S/C19H22N2O4/c1-10(2)25-19(23)14-9-24-17-6-3-11(7-13(14)17)18(22)21-16-8-12-4-5-15(16)20-12/h3,6-7,9-10,12,15-16,20H,4-5,8H2,1-2H3,(H,21,22)/t12-,15+,16-/m1/s1
InChIKeyUOVJXBISMFFJBJ-UHOFOFEASA-N
MW342.40 g/mol
LogP2.62
Rot. Bonds4

About propan-2-yl 5-[[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]carbamoyl]-1-benzofuran-3-carboxylate

propan-2-yl 5-[[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]carbamoyl]-1-benzofuran-3-carboxylate (PubChem CID 91012469) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is propan-2-yl 5-[[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]carbamoyl]-1-benzofuran-3-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 5-[[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]carbamoyl]-1-benzofuran-3-carboxylate
PubChem CID91012469
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Namepropan-2-yl 5-[[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]carbamoyl]-1-benzofuran-3-carboxylate
SMILESCC(C)OC(=O)c1coc2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)cc12
InChIInChI=1S/C19H22N2O4/c1-10(2)25-19(23)14-9-24-17-6-3-11(7-13(14)17)18(22)21-16-8-12-4-5-15(16)20-12/h3,6-7,9-10,12,15-16,20H,4-5,8H2,1-2H3,(H,21,22)/t12-,15+,16-/m1/s1
InChIKeyUOVJXBISMFFJBJ-UHOFOFEASA-N
XLogP2.62
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze propan-2-yl 5-[[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]carbamoyl]-1-benzofuran-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-acetyl-N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-1-benzofuran-5-carboxamide
CID 90841268
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-methylsulfanyl-1-benzofuran-5-carboxamide
CID 91159442
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-(azetidine-1-carbonyl)-1-benzofuran-5-carboxamide
CID 91222901
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-iodo-1-benzofuran-5-carboxamide
CID 90847887
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-piperidin-1-yl-1-benzofuran-5-carboxamide
CID 91253874
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-sulfanyl-1-benzofuran-5-carboxamide
CID 91358573
N-(7-azabicyclo[2.2.1]heptan-2-yl)-8-methoxynaphthalene-2-carboxamide
CID 22243407
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-methyl-2H-indazole-5-carboxamide
CID 10084500
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-pyrrolidin-1-yl-1-benzofuran-5-carboxamide
CID 69362588
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-1,3-benzodioxole-5-carboxamide
CID 45087059
2-[acetyl(methyl)amino]-N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-1-benzofuran-5-carboxamide
CID 91459944
3-amino-N-[(2R)-7-azabicyclo[2.2.1]heptan-2-yl]-4-hydroxybenzamide
CID 59059436

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 5-[[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]carbamoyl]-1-benzofuran-3-carboxylate?
The IUPAC name of propan-2-yl 5-[[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]carbamoyl]-1-benzofuran-3-carboxylate (CID 91012469) is propan-2-yl 5-[[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]carbamoyl]-1-benzofuran-3-carboxylate.
What is the SMILES notation for propan-2-yl 5-[[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]carbamoyl]-1-benzofuran-3-carboxylate?
The canonical SMILES for propan-2-yl 5-[[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]carbamoyl]-1-benzofuran-3-carboxylate is CC(C)OC(=O)c1coc2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)cc12.
What is the InChIKey of propan-2-yl 5-[[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]carbamoyl]-1-benzofuran-3-carboxylate?
The InChIKey is UOVJXBISMFFJBJ-UHOFOFEASA-N. The full InChI is InChI=1S/C19H22N2O4/c1-10(2)25-19(23)14-9-24-17-6-3-11(7-13(14)17)18(22)21-16-8-12-4-5-15(16)20-12/h3,6-7,9-10,12,15-16,20H,4-5,8H2,1-2H3,(H,21,22)/t12-,15+,16-/m1/s1.
What are the key properties of propan-2-yl 5-[[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]carbamoyl]-1-benzofuran-3-carboxylate?
propan-2-yl 5-[[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]carbamoyl]-1-benzofuran-3-carboxylate has a molecular weight of 342.40 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 5-[[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]carbamoyl]-1-benzofuran-3-carboxylate is sourced from PubChem (CID 91012469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).