[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-(5-methoxy-3-methyl-1-benzofuran-2-yl)methanone

C23H25NO5 — CID 9049227

IUPAC[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-(5-methoxy-3-methyl-1-benzofuran-2-yl)methanone
SMILESCOc1ccc([C@H]2CCCN2C(=O)c2oc3ccc(OC)cc3c2C)c(OC)c1
InChIInChI=1S/C23H25NO5/c1-14-18-12-15(26-2)8-10-20(18)29-22(14)23(25)24-11-5-6-19(24)17-9-7-16(27-3)13-21(17)28-4/h7-10,12-13,19H,5-6,11H2,1-4H3/t19-/m1/s1
InChIKeyULBFZNBMXROOAH-LJQANCHMSA-N
MW395.46 g/mol
LogP4.74
Rot. Bonds5

About [(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-(5-methoxy-3-methyl-1-benzofuran-2-yl)methanone

[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-(5-methoxy-3-methyl-1-benzofuran-2-yl)methanone (PubChem CID 9049227) has the molecular formula C23H25NO5 and a molecular weight of 395.46 g/mol. Its IUPAC name is [(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-(5-methoxy-3-methyl-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-(5-methoxy-3-methyl-1-benzofuran-2-yl)methanone
PubChem CID9049227
Molecular FormulaC23H25NO5
Molecular Weight395.46 g/mol
Exact Mass395.17
IUPAC Name[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-(5-methoxy-3-methyl-1-benzofuran-2-yl)methanone
SMILESCOc1ccc([C@H]2CCCN2C(=O)c2oc3ccc(OC)cc3c2C)c(OC)c1
InChIInChI=1S/C23H25NO5/c1-14-18-12-15(26-2)8-10-20(18)29-22(14)23(25)24-11-5-6-19(24)17-9-7-16(27-3)13-21(17)28-4/h7-10,12-13,19H,5-6,11H2,1-4H3/t19-/m1/s1
InChIKeyULBFZNBMXROOAH-LJQANCHMSA-N
XLogP4.74
TPSA61.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5-methoxy-3-methyl-1-benzofuran-2-yl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 8502431
(5-methoxy-3-methyl-1-benzofuran-2-yl)-[(2R)-2-methylpiperidin-1-yl]methanone
CID 8502430
[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 94461388
1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]ethanone
CID 73440076
(3,4-dimethoxyphenyl)-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone
CID 46636697
1-(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)-N-methylpiperidine-2-carboxamide
CID 51078232
(2,4-dimethoxyphenyl)-[4-(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]methanone
CID 55904204
(5-bromothiophen-2-yl)-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone
CID 51550650
[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-(thiadiazol-5-yl)methanone
CID 56796336
[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 27034302
(6-methoxy-3-methyl-1-benzofuran-2-yl)-[(2R)-2-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone
CID 97132095
3-[3-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]-4,7-dimethylchromen-2-one
CID 27034310

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-(5-methoxy-3-methyl-1-benzofuran-2-yl)methanone?
The IUPAC name of [(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-(5-methoxy-3-methyl-1-benzofuran-2-yl)methanone (CID 9049227) is [(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-(5-methoxy-3-methyl-1-benzofuran-2-yl)methanone.
What is the SMILES notation for [(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-(5-methoxy-3-methyl-1-benzofuran-2-yl)methanone?
The canonical SMILES for [(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-(5-methoxy-3-methyl-1-benzofuran-2-yl)methanone is COc1ccc([C@H]2CCCN2C(=O)c2oc3ccc(OC)cc3c2C)c(OC)c1.
What is the InChIKey of [(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-(5-methoxy-3-methyl-1-benzofuran-2-yl)methanone?
The InChIKey is ULBFZNBMXROOAH-LJQANCHMSA-N. The full InChI is InChI=1S/C23H25NO5/c1-14-18-12-15(26-2)8-10-20(18)29-22(14)23(25)24-11-5-6-19(24)17-9-7-16(27-3)13-21(17)28-4/h7-10,12-13,19H,5-6,11H2,1-4H3/t19-/m1/s1.
What are the key properties of [(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-(5-methoxy-3-methyl-1-benzofuran-2-yl)methanone?
[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-(5-methoxy-3-methyl-1-benzofuran-2-yl)methanone has a molecular weight of 395.46 g/mol, XLogP of 4.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-(5-methoxy-3-methyl-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 9049227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).