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

C24H28N2O2 — CID 10110088

IUPAC[4-(dimethylamino)phenyl]-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methanone
SMILESC[C@@H]1CCCN1CCc1cc2cc(C(=O)c3ccc(N(C)C)cc3)ccc2o1
InChIInChI=1S/C24H28N2O2/c1-17-5-4-13-26(17)14-12-22-16-20-15-19(8-11-23(20)28-22)24(27)18-6-9-21(10-7-18)25(2)3/h6-11,15-17H,4-5,12-14H2,1-3H3/t17-/m1/s1
InChIKeyZQCABOOXQFMEIL-QGZVFWFLSA-N
MW376.50 g/mol
LogP4.76
Rot. Bonds6

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

[4-(dimethylamino)phenyl]-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methanone (PubChem CID 10110088) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is [4-(dimethylamino)phenyl]-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methanone.

Molecular Properties

Compound Name[4-(dimethylamino)phenyl]-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methanone
PubChem CID10110088
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC Name[4-(dimethylamino)phenyl]-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methanone
SMILESC[C@@H]1CCCN1CCc1cc2cc(C(=O)c3ccc(N(C)C)cc3)ccc2o1
InChIInChI=1S/C24H28N2O2/c1-17-5-4-13-26(17)14-12-22-16-20-15-19(8-11-23(20)28-22)24(27)18-6-9-21(10-7-18)25(2)3/h6-11,15-17H,4-5,12-14H2,1-3H3/t17-/m1/s1
InChIKeyZQCABOOXQFMEIL-QGZVFWFLSA-N
XLogP4.76
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)phenyl]-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methanone?
The IUPAC name of [4-(dimethylamino)phenyl]-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methanone (CID 10110088) is [4-(dimethylamino)phenyl]-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methanone.
What is the SMILES notation for [4-(dimethylamino)phenyl]-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methanone?
The canonical SMILES for [4-(dimethylamino)phenyl]-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methanone is C[C@@H]1CCCN1CCc1cc2cc(C(=O)c3ccc(N(C)C)cc3)ccc2o1.
What is the InChIKey of [4-(dimethylamino)phenyl]-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methanone?
The InChIKey is ZQCABOOXQFMEIL-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H28N2O2/c1-17-5-4-13-26(17)14-12-22-16-20-15-19(8-11-23(20)28-22)24(27)18-6-9-21(10-7-18)25(2)3/h6-11,15-17H,4-5,12-14H2,1-3H3/t17-/m1/s1.
What are the key properties of [4-(dimethylamino)phenyl]-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methanone?
[4-(dimethylamino)phenyl]-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methanone has a molecular weight of 376.50 g/mol, XLogP of 4.76, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)phenyl]-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methanone is sourced from PubChem (CID 10110088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).