N-[2-(1-benzofuran-2-yl)ethyl]spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-carboxamide

C22H22N2O3 — CID 127902707

IUPACN-[2-(1-benzofuran-2-yl)ethyl]spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-carboxamide
SMILESO=C(NCCc1cc2ccccc2o1)N1CCC2(C1)OCc1ccccc12
InChIInChI=1S/C22H22N2O3/c25-21(23-11-9-18-13-16-5-2-4-8-20(16)27-18)24-12-10-22(15-24)19-7-3-1-6-17(19)14-26-22/h1-8,13H,9-12,14-15H2,(H,23,25)
InChIKeyCITDQMBLEYCWAM-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.82
Rot. Bonds3

About N-[2-(1-benzofuran-2-yl)ethyl]spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-carboxamide

N-[2-(1-benzofuran-2-yl)ethyl]spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-carboxamide (PubChem CID 127902707) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-[2-(1-benzofuran-2-yl)ethyl]spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-carboxamide.

Molecular Properties

Compound NameN-[2-(1-benzofuran-2-yl)ethyl]spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-carboxamide
PubChem CID127902707
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC NameN-[2-(1-benzofuran-2-yl)ethyl]spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-carboxamide
SMILESO=C(NCCc1cc2ccccc2o1)N1CCC2(C1)OCc1ccccc12
InChIInChI=1S/C22H22N2O3/c25-21(23-11-9-18-13-16-5-2-4-8-20(16)27-18)24-12-10-22(15-24)19-7-3-1-6-17(19)14-26-22/h1-8,13H,9-12,14-15H2,(H,23,25)
InChIKeyCITDQMBLEYCWAM-UHFFFAOYSA-N
XLogP3.82
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-(2-imidazol-1-ylethyl)spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-carboxamide
CID 124617607
1-[2-(1-benzofuran-2-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 122003126
N-[2-(1-benzofuran-2-yl)ethyl]-2-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 154758945
1-benzothiophen-2-yl(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methanone
CID 25210797
N-(5-propan-2-yl-1,2-oxazol-3-yl)spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-carboxamide
CID 127901233
(3S,4S)-1-[2-(1-benzofuran-2-yl)ethylcarbamoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122003135
N-[3-(spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-carbonyl)phenyl]propanamide
CID 126795764
N-[2-(1-benzofuran-2-yl)ethyl]-4-(6-methoxypyrimidin-4-yl)piperazine-1-carboxamide
CID 126785553
N-(4-propan-2-yloxyphenyl)spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-carboxamide
CID 126792771
(1-pyridin-3-ylcyclobutyl)-spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-ylmethanone
CID 141133219
2-(2-oxo-2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylethyl)sulfanylacetic acid
CID 70254343
1-[1'-(1-benzofuran-2-ylmethyl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-yl]ethanone
CID 58089777

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzofuran-2-yl)ethyl]spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-carboxamide?
The IUPAC name of N-[2-(1-benzofuran-2-yl)ethyl]spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-carboxamide (CID 127902707) is N-[2-(1-benzofuran-2-yl)ethyl]spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-carboxamide.
What is the SMILES notation for N-[2-(1-benzofuran-2-yl)ethyl]spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-carboxamide?
The canonical SMILES for N-[2-(1-benzofuran-2-yl)ethyl]spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-carboxamide is O=C(NCCc1cc2ccccc2o1)N1CCC2(C1)OCc1ccccc12.
What is the InChIKey of N-[2-(1-benzofuran-2-yl)ethyl]spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-carboxamide?
The InChIKey is CITDQMBLEYCWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c25-21(23-11-9-18-13-16-5-2-4-8-20(16)27-18)24-12-10-22(15-24)19-7-3-1-6-17(19)14-26-22/h1-8,13H,9-12,14-15H2,(H,23,25).
What are the key properties of N-[2-(1-benzofuran-2-yl)ethyl]spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-carboxamide?
N-[2-(1-benzofuran-2-yl)ethyl]spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzofuran-2-yl)ethyl]spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-carboxamide is sourced from PubChem (CID 127902707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).