(4-methoxyphenyl)-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methanone

C23H25NO3 — CID 10109322

IUPAC(4-methoxyphenyl)-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methanone
SMILESCOc1ccc(C(=O)c2ccc3oc(CCN4CCC[C@H]4C)cc3c2)cc1
InChIInChI=1S/C23H25NO3/c1-16-4-3-12-24(16)13-11-21-15-19-14-18(7-10-22(19)27-21)23(25)17-5-8-20(26-2)9-6-17/h5-10,14-16H,3-4,11-13H2,1-2H3/t16-/m1/s1
InChIKeyZGSUVVWUSJSBAJ-MRXNPFEDSA-N
MW363.46 g/mol
LogP4.70
Rot. Bonds6

About (4-methoxyphenyl)-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methanone

(4-methoxyphenyl)-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methanone (PubChem CID 10109322) has the molecular formula C23H25NO3 and a molecular weight of 363.46 g/mol. Its IUPAC name is (4-methoxyphenyl)-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methanone
PubChem CID10109322
Molecular FormulaC23H25NO3
Molecular Weight363.46 g/mol
Exact Mass363.18
IUPAC Name(4-methoxyphenyl)-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methanone
SMILESCOc1ccc(C(=O)c2ccc3oc(CCN4CCC[C@H]4C)cc3c2)cc1
InChIInChI=1S/C23H25NO3/c1-16-4-3-12-24(16)13-11-21-15-19-14-18(7-10-22(19)27-21)23(25)17-5-8-20(26-2)9-6-17/h5-10,14-16H,3-4,11-13H2,1-2H3/t16-/m1/s1
InChIKeyZGSUVVWUSJSBAJ-MRXNPFEDSA-N
XLogP4.70
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Benzonitrile, 4-(2-(2-((2r)-2-methyl-1-pyrrolidinyl)ethyl)-5-benzofuranyl)-
CID 9818903
(2-{2-[(2R)-2-methyl-1-pyrrolidinyl]ethyl}-1-benzofuran-5-yl)(phenyl)methanone
CID 9858858
(R)-4-(2-(2-(2-Methylpyrrolidin-1-yl)-ethyl)benzofuran-5-yl)benzonitrile
CID 9883980
1-[3-(2-{2-[(2R)-2-methyl-1-pyrrolidinyl]ethyl}-1-benzofuran-5-yl)phenyl]ethanone
CID 9884652
A-431404
CID 9906447
(4-Fluoro-3-methyl-phenyl)-{2-[2-((R)-2-methyl-pyrrolidin-1-yl)-ethyl]-benzofuran-5-yl}-methanone
CID 9925337
(3-fluorophenyl)(2-{2-[(2R)-2-methyl-1-pyrrolidinyl]ethyl}-1-benzofuran-5-yl)methanone
CID 9946461
(3,5-difluorophenyl)(2-{2-[(2R)-2-methyl-1-pyrrolidinyl]ethyl}-1-benzofuran-5-yl)methanone
CID 9969328
cyclopropyl[4-(2-{2-[(2R)-2-methyl-1-pyrrolidinyl]ethyl}-1-benzofuran-5-yl)phenyl]methanone
CID 10109898
[4-(dimethylamino)phenyl](2-{2-[(2R)-2-methyl-1-pyrrolidinyl]ethyl}-1-benzofuran-5-yl)methanone
CID 10110088
{2-[2-((R)-2-Methyl-pyrrolidin-1-yl)-ethyl]-benzofuran-5-yl}-p-tolyl-methanone
CID 10132440
cyclopropyl[3-(2-{2-[(2R)-2-methyl-1-pyrrolidinyl]ethyl}-1-benzofuran-5-yl)phenyl]methanone
CID 10133949

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methanone?
The IUPAC name of (4-methoxyphenyl)-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methanone (CID 10109322) is (4-methoxyphenyl)-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methanone.
What is the SMILES notation for (4-methoxyphenyl)-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methanone?
The canonical SMILES for (4-methoxyphenyl)-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methanone is COc1ccc(C(=O)c2ccc3oc(CCN4CCC[C@H]4C)cc3c2)cc1.
What is the InChIKey of (4-methoxyphenyl)-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methanone?
The InChIKey is ZGSUVVWUSJSBAJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H25NO3/c1-16-4-3-12-24(16)13-11-21-15-19-14-18(7-10-22(19)27-21)23(25)17-5-8-20(26-2)9-6-17/h5-10,14-16H,3-4,11-13H2,1-2H3/t16-/m1/s1.
What are the key properties of (4-methoxyphenyl)-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methanone?
(4-methoxyphenyl)-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methanone has a molecular weight of 363.46 g/mol, XLogP of 4.70, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methanone is sourced from PubChem (CID 10109322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).