N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-benzofuran-2-carboxamide

C22H24N2O3 — CID 4878106

IUPACN-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-benzofuran-2-carboxamide
SMILESCOc1ccc(C(CNC(=O)c2cc3ccccc3o2)N2CCCC2)cc1
InChIInChI=1S/C22H24N2O3/c1-26-18-10-8-16(9-11-18)19(24-12-4-5-13-24)15-23-22(25)21-14-17-6-2-3-7-20(17)27-21/h2-3,6-11,14,19H,4-5,12-13,15H2,1H3,(H,23,25)
InChIKeyPNETWOCRUSFOJR-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.01
Rot. Bonds6

About N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-benzofuran-2-carboxamide

N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-benzofuran-2-carboxamide (PubChem CID 4878106) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-benzofuran-2-carboxamide
PubChem CID4878106
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC NameN-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-benzofuran-2-carboxamide
SMILESCOc1ccc(C(CNC(=O)c2cc3ccccc3o2)N2CCCC2)cc1
InChIInChI=1S/C22H24N2O3/c1-26-18-10-8-16(9-11-18)19(24-12-4-5-13-24)15-23-22(25)21-14-17-6-2-3-7-20(17)27-21/h2-3,6-11,14,19H,4-5,12-13,15H2,1H3,(H,23,25)
InChIKeyPNETWOCRUSFOJR-UHFFFAOYSA-N
XLogP4.01
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-benzofuran-2-carboxamide (CID 4878106) is N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-benzofuran-2-carboxamide is COc1ccc(C(CNC(=O)c2cc3ccccc3o2)N2CCCC2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-benzofuran-2-carboxamide?
The InChIKey is PNETWOCRUSFOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-26-18-10-8-16(9-11-18)19(24-12-4-5-13-24)15-23-22(25)21-14-17-6-2-3-7-20(17)27-21/h2-3,6-11,14,19H,4-5,12-13,15H2,1H3,(H,23,25).
What are the key properties of N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-benzofuran-2-carboxamide?
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-benzofuran-2-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 4878106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).