N-(4-propan-2-yloxyphenyl)spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-carboxamide

C21H24N2O3 — CID 126792771

IUPACN-(4-propan-2-yloxyphenyl)spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-carboxamide
SMILESCC(C)Oc1ccc(NC(=O)N2CCC3(C2)OCc2ccccc23)cc1
InChIInChI=1S/C21H24N2O3/c1-15(2)26-18-9-7-17(8-10-18)22-20(24)23-12-11-21(14-23)19-6-4-3-5-16(19)13-25-21/h3-10,15H,11-14H2,1-2H3,(H,22,24)
InChIKeyQWLVEZLPQHVVHU-UHFFFAOYSA-N
MW352.43 g/mol
LogP4.14
Rot. Bonds3

About N-(4-propan-2-yloxyphenyl)spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-carboxamide

N-(4-propan-2-yloxyphenyl)spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-carboxamide (PubChem CID 126792771) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-(4-propan-2-yloxyphenyl)spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-carboxamide.

Molecular Properties

Compound NameN-(4-propan-2-yloxyphenyl)spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-carboxamide
PubChem CID126792771
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN-(4-propan-2-yloxyphenyl)spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-carboxamide
SMILESCC(C)Oc1ccc(NC(=O)N2CCC3(C2)OCc2ccccc23)cc1
InChIInChI=1S/C21H24N2O3/c1-15(2)26-18-9-7-17(8-10-18)22-20(24)23-12-11-21(14-23)19-6-4-3-5-16(19)13-25-21/h3-10,15H,11-14H2,1-2H3,(H,22,24)
InChIKeyQWLVEZLPQHVVHU-UHFFFAOYSA-N
XLogP4.14
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-propan-2-yl-1,2-oxazol-3-yl)spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-carboxamide
CID 127901233
spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-carboxamide
CID 69477895
N-(6-methoxy-3-pyridinyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxamide
CID 10131986
N-[4-[(E)-3-oxo-3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-1-enyl]phenyl]acetamide
CID 90350183
N-(6-pyrrolidin-1-yl-3-pyridinyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxamide
CID 10293050
N-(1-oxo-1-spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-ylpropan-2-yl)thiophene-2-carboxamide
CID 127897418
(3S)-N-(2-imidazol-1-ylethyl)spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-carboxamide
CID 124617607
(1-pyridin-2-ylcyclopropyl)-[(3R)-spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-yl]methanone
CID 141133211
N-[4-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carbonyl)phenyl]cyclopropanecarboxamide
CID 90350182
4-(4-acetamidophenyl)-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113113951
4-[hydroxy(diphenyl)methyl]-N-(4-propan-2-yloxyphenyl)piperidine-1-carboxamide
CID 90316470
(2R,6R)-2,6-dimethyl-N-(4-propan-2-yloxyphenyl)morpholine-4-carboxamide
CID 94187636

Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-yloxyphenyl)spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-carboxamide?
The IUPAC name of N-(4-propan-2-yloxyphenyl)spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-carboxamide (CID 126792771) is N-(4-propan-2-yloxyphenyl)spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-carboxamide.
What is the SMILES notation for N-(4-propan-2-yloxyphenyl)spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-carboxamide?
The canonical SMILES for N-(4-propan-2-yloxyphenyl)spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-carboxamide is CC(C)Oc1ccc(NC(=O)N2CCC3(C2)OCc2ccccc23)cc1.
What is the InChIKey of N-(4-propan-2-yloxyphenyl)spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-carboxamide?
The InChIKey is QWLVEZLPQHVVHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-15(2)26-18-9-7-17(8-10-18)22-20(24)23-12-11-21(14-23)19-6-4-3-5-16(19)13-25-21/h3-10,15H,11-14H2,1-2H3,(H,22,24).
What are the key properties of N-(4-propan-2-yloxyphenyl)spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-carboxamide?
N-(4-propan-2-yloxyphenyl)spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-carboxamide has a molecular weight of 352.43 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propan-2-yloxyphenyl)spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-carboxamide is sourced from PubChem (CID 126792771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).