N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-benzofuran-2-carboxamide

C23H26N2O3 — CID 25163331

IUPACN-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCOc1ccccc1C(CNC(=O)c1oc2ccccc2c1C)N1CCCC1
InChIInChI=1S/C23H26N2O3/c1-16-17-9-3-6-12-21(17)28-22(16)23(26)24-15-19(25-13-7-8-14-25)18-10-4-5-11-20(18)27-2/h3-6,9-12,19H,7-8,13-15H2,1-2H3,(H,24,26)
InChIKeyKKYIXNFCQMIOGD-UHFFFAOYSA-N
MW378.47 g/mol
LogP4.32
Rot. Bonds6

About N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-benzofuran-2-carboxamide

N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 25163331) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-benzofuran-2-carboxamide
PubChem CID25163331
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC NameN-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCOc1ccccc1C(CNC(=O)c1oc2ccccc2c1C)N1CCCC1
InChIInChI=1S/C23H26N2O3/c1-16-17-9-3-6-12-21(17)28-22(16)23(26)24-15-19(25-13-7-8-14-25)18-10-4-5-11-20(18)27-2/h3-6,9-12,19H,7-8,13-15H2,1-2H3,(H,24,26)
InChIKeyKKYIXNFCQMIOGD-UHFFFAOYSA-N
XLogP4.32
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-benzofuran-2-carboxamide (CID 25163331) is N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-benzofuran-2-carboxamide is COc1ccccc1C(CNC(=O)c1oc2ccccc2c1C)N1CCCC1.
What is the InChIKey of N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is KKYIXNFCQMIOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-16-17-9-3-6-12-21(17)28-22(16)23(26)24-15-19(25-13-7-8-14-25)18-10-4-5-11-20(18)27-2/h3-6,9-12,19H,7-8,13-15H2,1-2H3,(H,24,26).
What are the key properties of N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-benzofuran-2-carboxamide?
N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 378.47 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 25163331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).