1-[2-(3,4-dimethoxyphenyl)-1-benzofuran-5-yl]-3-(2,6-dimethylmorpholin-4-yl)propan-2-one

C25H29NO5 — CID 91093539

IUPAC1-[2-(3,4-dimethoxyphenyl)-1-benzofuran-5-yl]-3-(2,6-dimethylmorpholin-4-yl)propan-2-one
SMILESCOc1ccc(-c2cc3cc(CC(=O)CN4CC(C)OC(C)C4)ccc3o2)cc1OC
InChIInChI=1S/C25H29NO5/c1-16-13-26(14-17(2)30-16)15-21(27)10-18-5-7-22-20(9-18)12-24(31-22)19-6-8-23(28-3)25(11-19)29-4/h5-9,11-12,16-17H,10,13-15H2,1-4H3
InChIKeyKCTWJKXJNFIBRV-UHFFFAOYSA-N
MW423.51 g/mol
LogP4.34
Rot. Bonds7

About 1-[2-(3,4-dimethoxyphenyl)-1-benzofuran-5-yl]-3-(2,6-dimethylmorpholin-4-yl)propan-2-one

1-[2-(3,4-dimethoxyphenyl)-1-benzofuran-5-yl]-3-(2,6-dimethylmorpholin-4-yl)propan-2-one (PubChem CID 91093539) has the molecular formula C25H29NO5 and a molecular weight of 423.51 g/mol. Its IUPAC name is 1-[2-(3,4-dimethoxyphenyl)-1-benzofuran-5-yl]-3-(2,6-dimethylmorpholin-4-yl)propan-2-one.

Molecular Properties

Compound Name1-[2-(3,4-dimethoxyphenyl)-1-benzofuran-5-yl]-3-(2,6-dimethylmorpholin-4-yl)propan-2-one
PubChem CID91093539
Molecular FormulaC25H29NO5
Molecular Weight423.51 g/mol
Exact Mass423.20
IUPAC Name1-[2-(3,4-dimethoxyphenyl)-1-benzofuran-5-yl]-3-(2,6-dimethylmorpholin-4-yl)propan-2-one
SMILESCOc1ccc(-c2cc3cc(CC(=O)CN4CC(C)OC(C)C4)ccc3o2)cc1OC
InChIInChI=1S/C25H29NO5/c1-16-13-26(14-17(2)30-16)15-21(27)10-18-5-7-22-20(9-18)12-24(31-22)19-6-8-23(28-3)25(11-19)29-4/h5-9,11-12,16-17H,10,13-15H2,1-4H3
InChIKeyKCTWJKXJNFIBRV-UHFFFAOYSA-N
XLogP4.34
TPSA61.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(3,4-dimethoxyphenyl)-1-benzofuran-5-yl]ethanol
CID 24946507
N-[(3,4-dimethoxyphenyl)methyl]-2-(2,6-dimethylmorpholin-4-yl)acetamide
CID 17407308
2-(3,4-dimethoxyphenyl)-1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 3373584
2-[2-(4-hydroxy-3-methoxyphenyl)-1-benzofuran-5-yl]-N,N-dipropylacetamide
CID 24947774
2-(3,4-dimethoxyphenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 43044429
[5-(3-amino-4-methoxyphenyl)furan-2-yl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 100804554
3-[2-(3,4-dimethoxyphenyl)-1-benzofuran-5-yl]-3-ethylpentanamide
CID 68875534
2-(3,4-dimethoxyphenyl)-1-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]ethanone
CID 51126545
N-(2,5-dimethoxyphenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]acetamide
CID 2653031
2-(2,6-dimethylmorpholin-4-yl)-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 43227111
2-(3,4-dimethoxyphenyl)-5-prop-2-enoxy-1-benzofuran
CID 24946681
N-(5-chloro-2-methoxyphenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]acetamide
CID 2088175

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethoxyphenyl)-1-benzofuran-5-yl]-3-(2,6-dimethylmorpholin-4-yl)propan-2-one?
The IUPAC name of 1-[2-(3,4-dimethoxyphenyl)-1-benzofuran-5-yl]-3-(2,6-dimethylmorpholin-4-yl)propan-2-one (CID 91093539) is 1-[2-(3,4-dimethoxyphenyl)-1-benzofuran-5-yl]-3-(2,6-dimethylmorpholin-4-yl)propan-2-one.
What is the SMILES notation for 1-[2-(3,4-dimethoxyphenyl)-1-benzofuran-5-yl]-3-(2,6-dimethylmorpholin-4-yl)propan-2-one?
The canonical SMILES for 1-[2-(3,4-dimethoxyphenyl)-1-benzofuran-5-yl]-3-(2,6-dimethylmorpholin-4-yl)propan-2-one is COc1ccc(-c2cc3cc(CC(=O)CN4CC(C)OC(C)C4)ccc3o2)cc1OC.
What is the InChIKey of 1-[2-(3,4-dimethoxyphenyl)-1-benzofuran-5-yl]-3-(2,6-dimethylmorpholin-4-yl)propan-2-one?
The InChIKey is KCTWJKXJNFIBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO5/c1-16-13-26(14-17(2)30-16)15-21(27)10-18-5-7-22-20(9-18)12-24(31-22)19-6-8-23(28-3)25(11-19)29-4/h5-9,11-12,16-17H,10,13-15H2,1-4H3.
What are the key properties of 1-[2-(3,4-dimethoxyphenyl)-1-benzofuran-5-yl]-3-(2,6-dimethylmorpholin-4-yl)propan-2-one?
1-[2-(3,4-dimethoxyphenyl)-1-benzofuran-5-yl]-3-(2,6-dimethylmorpholin-4-yl)propan-2-one has a molecular weight of 423.51 g/mol, XLogP of 4.34, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dimethoxyphenyl)-1-benzofuran-5-yl]-3-(2,6-dimethylmorpholin-4-yl)propan-2-one is sourced from PubChem (CID 91093539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).