[3-(dimethylamino)pyrrolidin-1-yl]-(2-methyl-5-phenylmethoxy-1-benzofuran-3-yl)methanone

C23H26N2O3 — CID 163379260

IUPAC[3-(dimethylamino)pyrrolidin-1-yl]-(2-methyl-5-phenylmethoxy-1-benzofuran-3-yl)methanone
SMILESCc1oc2ccc(OCc3ccccc3)cc2c1C(=O)N1CCC(N(C)C)C1
InChIInChI=1S/C23H26N2O3/c1-16-22(23(26)25-12-11-18(14-25)24(2)3)20-13-19(9-10-21(20)28-16)27-15-17-7-5-4-6-8-17/h4-10,13,18H,11-12,14-15H2,1-3H3
InChIKeyYFGYFBIJOOPHJO-UHFFFAOYSA-N
MW378.47 g/mol
LogP4.10
Rot. Bonds5

About [3-(dimethylamino)pyrrolidin-1-yl]-(2-methyl-5-phenylmethoxy-1-benzofuran-3-yl)methanone

[3-(dimethylamino)pyrrolidin-1-yl]-(2-methyl-5-phenylmethoxy-1-benzofuran-3-yl)methanone (PubChem CID 163379260) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is [3-(dimethylamino)pyrrolidin-1-yl]-(2-methyl-5-phenylmethoxy-1-benzofuran-3-yl)methanone.

Molecular Properties

Compound Name[3-(dimethylamino)pyrrolidin-1-yl]-(2-methyl-5-phenylmethoxy-1-benzofuran-3-yl)methanone
PubChem CID163379260
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name[3-(dimethylamino)pyrrolidin-1-yl]-(2-methyl-5-phenylmethoxy-1-benzofuran-3-yl)methanone
SMILESCc1oc2ccc(OCc3ccccc3)cc2c1C(=O)N1CCC(N(C)C)C1
InChIInChI=1S/C23H26N2O3/c1-16-22(23(26)25-12-11-18(14-25)24(2)3)20-13-19(9-10-21(20)28-16)27-15-17-7-5-4-6-8-17/h4-10,13,18H,11-12,14-15H2,1-3H3
InChIKeyYFGYFBIJOOPHJO-UHFFFAOYSA-N
XLogP4.10
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(dimethylamino)piperidin-1-yl]-(2-methyl-5-phenylmethoxy-1-benzofuran-3-yl)methanone
CID 163379777
1-(2-methyl-5-phenylmethoxy-1-benzofuran-3-carbonyl)-N-(2-methylpropyl)piperidine-3-carboxamide
CID 163379506
tert-butyl 3-[(2-methyl-5-phenylmethoxy-1-benzofuran-3-carbonyl)amino]pyrrolidine-1-carboxylate
CID 175486639
N-(1-ethylpiperidin-4-yl)-2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide
CID 163379581
N-cyclopropylsulfonyl-2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide
CID 163379602
2-methyl-N-(oxetan-3-yl)-5-phenylmethoxy-1-benzofuran-3-carboxamide
CID 163379359
carbanide;2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide;osmium(1+);pyrrolidine
CID 163379705
2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-5-phenylmethoxy-1-benzofuran-3-carboxamide
CID 163379373
2-methyl-N-[[(2R)-oxolan-2-yl]methyl]-5-phenylmethoxy-1-benzofuran-3-carboxamide
CID 163379668
2-methyl-N-methylsulfonyl-5-phenylmethoxy-1-benzofuran-3-carboxamide
CID 163379631
2-phenyl-5-phenylmethoxy-1-benzofuran-3-carboxylic acid
CID 696231
5-[(3-methoxyphenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid
CID 163379683

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)pyrrolidin-1-yl]-(2-methyl-5-phenylmethoxy-1-benzofuran-3-yl)methanone?
The IUPAC name of [3-(dimethylamino)pyrrolidin-1-yl]-(2-methyl-5-phenylmethoxy-1-benzofuran-3-yl)methanone (CID 163379260) is [3-(dimethylamino)pyrrolidin-1-yl]-(2-methyl-5-phenylmethoxy-1-benzofuran-3-yl)methanone.
What is the SMILES notation for [3-(dimethylamino)pyrrolidin-1-yl]-(2-methyl-5-phenylmethoxy-1-benzofuran-3-yl)methanone?
The canonical SMILES for [3-(dimethylamino)pyrrolidin-1-yl]-(2-methyl-5-phenylmethoxy-1-benzofuran-3-yl)methanone is Cc1oc2ccc(OCc3ccccc3)cc2c1C(=O)N1CCC(N(C)C)C1.
What is the InChIKey of [3-(dimethylamino)pyrrolidin-1-yl]-(2-methyl-5-phenylmethoxy-1-benzofuran-3-yl)methanone?
The InChIKey is YFGYFBIJOOPHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-16-22(23(26)25-12-11-18(14-25)24(2)3)20-13-19(9-10-21(20)28-16)27-15-17-7-5-4-6-8-17/h4-10,13,18H,11-12,14-15H2,1-3H3.
What are the key properties of [3-(dimethylamino)pyrrolidin-1-yl]-(2-methyl-5-phenylmethoxy-1-benzofuran-3-yl)methanone?
[3-(dimethylamino)pyrrolidin-1-yl]-(2-methyl-5-phenylmethoxy-1-benzofuran-3-yl)methanone has a molecular weight of 378.47 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)pyrrolidin-1-yl]-(2-methyl-5-phenylmethoxy-1-benzofuran-3-yl)methanone is sourced from PubChem (CID 163379260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).