N-[3-(spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-carbonyl)phenyl]propanamide

C21H22N2O3 — CID 126795764

IUPACN-[3-(spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-carbonyl)phenyl]propanamide
SMILESCCC(=O)Nc1cccc(C(=O)N2CCC3(C2)OCc2ccccc23)c1
InChIInChI=1S/C21H22N2O3/c1-2-19(24)22-17-8-5-7-15(12-17)20(25)23-11-10-21(14-23)18-9-4-3-6-16(18)13-26-21/h3-9,12H,2,10-11,13-14H2,1H3,(H,22,24)
InChIKeyLYYLPKVNWIAPRB-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.31
Rot. Bonds3

About N-[3-(spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-carbonyl)phenyl]propanamide

N-[3-(spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-carbonyl)phenyl]propanamide (PubChem CID 126795764) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[3-(spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-carbonyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[3-(spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-carbonyl)phenyl]propanamide
PubChem CID126795764
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC NameN-[3-(spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-carbonyl)phenyl]propanamide
SMILESCCC(=O)Nc1cccc(C(=O)N2CCC3(C2)OCc2ccccc23)c1
InChIInChI=1S/C21H22N2O3/c1-2-19(24)22-17-8-5-7-15(12-17)20(25)23-11-10-21(14-23)18-9-4-3-6-16(18)13-26-21/h3-9,12H,2,10-11,13-14H2,1H3,(H,22,24)
InChIKeyLYYLPKVNWIAPRB-UHFFFAOYSA-N
XLogP3.31
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-carbonyl)phenyl]propanamide?
The IUPAC name of N-[3-(spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-carbonyl)phenyl]propanamide (CID 126795764) is N-[3-(spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-carbonyl)phenyl]propanamide.
What is the SMILES notation for N-[3-(spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-carbonyl)phenyl]propanamide?
The canonical SMILES for N-[3-(spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-carbonyl)phenyl]propanamide is CCC(=O)Nc1cccc(C(=O)N2CCC3(C2)OCc2ccccc23)c1.
What is the InChIKey of N-[3-(spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-carbonyl)phenyl]propanamide?
The InChIKey is LYYLPKVNWIAPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-2-19(24)22-17-8-5-7-15(12-17)20(25)23-11-10-21(14-23)18-9-4-3-6-16(18)13-26-21/h3-9,12H,2,10-11,13-14H2,1H3,(H,22,24).
What are the key properties of N-[3-(spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-carbonyl)phenyl]propanamide?
N-[3-(spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-carbonyl)phenyl]propanamide has a molecular weight of 350.42 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-carbonyl)phenyl]propanamide is sourced from PubChem (CID 126795764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).