1-[3,4-dimethoxy-2-[[4-(5-methoxy-1-benzofuran-2-carbonyl)morpholin-2-yl]methoxy]phenyl]ethanone

C25H27NO8 — CID 3773726

IUPAC1-[3,4-dimethoxy-2-[[4-(5-methoxy-1-benzofuran-2-carbonyl)morpholin-2-yl]methoxy]phenyl]ethanone
SMILESCOc1ccc2oc(C(=O)N3CCOC(COc4c(C(C)=O)ccc(OC)c4OC)C3)cc2c1
InChIInChI=1S/C25H27NO8/c1-15(27)19-6-8-21(30-3)24(31-4)23(19)33-14-18-13-26(9-10-32-18)25(28)22-12-16-11-17(29-2)5-7-20(16)34-22/h5-8,11-12,18H,9-10,13-14H2,1-4H3
InChIKeyALNPNERQRRNLDV-UHFFFAOYSA-N
MW469.49 g/mol
LogP3.58
Rot. Bonds8

About 1-[3,4-dimethoxy-2-[[4-(5-methoxy-1-benzofuran-2-carbonyl)morpholin-2-yl]methoxy]phenyl]ethanone

1-[3,4-dimethoxy-2-[[4-(5-methoxy-1-benzofuran-2-carbonyl)morpholin-2-yl]methoxy]phenyl]ethanone (PubChem CID 3773726) has the molecular formula C25H27NO8 and a molecular weight of 469.49 g/mol. Its IUPAC name is 1-[3,4-dimethoxy-2-[[4-(5-methoxy-1-benzofuran-2-carbonyl)morpholin-2-yl]methoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[3,4-dimethoxy-2-[[4-(5-methoxy-1-benzofuran-2-carbonyl)morpholin-2-yl]methoxy]phenyl]ethanone
PubChem CID3773726
Molecular FormulaC25H27NO8
Molecular Weight469.49 g/mol
Exact Mass469.17
IUPAC Name1-[3,4-dimethoxy-2-[[4-(5-methoxy-1-benzofuran-2-carbonyl)morpholin-2-yl]methoxy]phenyl]ethanone
SMILESCOc1ccc2oc(C(=O)N3CCOC(COc4c(C(C)=O)ccc(OC)c4OC)C3)cc2c1
InChIInChI=1S/C25H27NO8/c1-15(27)19-6-8-21(30-3)24(31-4)23(19)33-14-18-13-26(9-10-32-18)25(28)22-12-16-11-17(29-2)5-7-20(16)34-22/h5-8,11-12,18H,9-10,13-14H2,1-4H3
InChIKeyALNPNERQRRNLDV-UHFFFAOYSA-N
XLogP3.58
TPSA96.67 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.49
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-[3,4-dimethoxy-2-[[4-(5-methoxy-1-benzofuran-2-carbonyl)morpholin-2-yl]methoxy]phenyl]ethanone with MolForge

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Related Compounds

1-[2-[(6-acetyl-2,3-dimethoxyphenoxy)methyl]morpholin-4-yl]-2-(3-bromo-4-methoxyphenyl)ethanone
CID 3697779
1-[2-[(6-acetyl-2,3-dimethoxyphenoxy)methyl]morpholin-4-yl]-2-methylpent-2-en-1-one
CID 4685886
methyl (2S)-2-[[2-[(6-acetyl-2,3-dimethoxyphenoxy)methyl]morpholine-4-carbonyl]amino]-4-methylsulfanylbutanoate
CID 74226792
[3-[[2-[(6-acetyl-2,3-dimethoxyphenoxy)methyl]morpholin-4-yl]methyl]phenyl] acetate
CID 3859572
1-[2-[(4-acetyl-3-methylphenoxy)methyl]morpholin-4-yl]-2-(3,4-dimethoxyphenyl)sulfanylethanone
CID 3854939
1-[3,4-dimethoxy-2-[[4-(3-phenylcinnoline-4-carbonyl)morpholin-2-yl]methoxy]phenyl]ethanone
CID 6413219
(2R)-2-[(2-ethoxycarbonyl-1-benzofuran-5-yl)oxymethyl]morpholine-4-carboxylic acid
CID 143391238
2-[(6-acetyl-2,3-dimethoxyphenoxy)methyl]-N-(2-thiophen-2-ylethyl)morpholine-4-carboxamide
CID 3783712
1-[2-[(6-acetyl-2,3-dimethoxyphenoxy)methyl]morpholin-4-yl]-2-(5-chloro-1-benzothiophen-3-yl)ethanone
CID 3778258
1-[2-[(4-acetyl-3-fluorophenoxy)methyl]morpholin-4-yl]-2-(3,4-dimethoxyphenyl)sulfanylethanone
CID 3690681
[2-(chloromethyl)morpholin-4-yl]-(5-methyl-1-benzofuran-2-yl)methanone
CID 81210117
(Z)-N-[2-[2-[(6-acetyl-2,3-dimethoxyphenoxy)methyl]morpholin-4-yl]-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide
CID 74227353

Frequently Asked Questions

What is the IUPAC name of 1-[3,4-dimethoxy-2-[[4-(5-methoxy-1-benzofuran-2-carbonyl)morpholin-2-yl]methoxy]phenyl]ethanone?
The IUPAC name of 1-[3,4-dimethoxy-2-[[4-(5-methoxy-1-benzofuran-2-carbonyl)morpholin-2-yl]methoxy]phenyl]ethanone (CID 3773726) is 1-[3,4-dimethoxy-2-[[4-(5-methoxy-1-benzofuran-2-carbonyl)morpholin-2-yl]methoxy]phenyl]ethanone.
What is the SMILES notation for 1-[3,4-dimethoxy-2-[[4-(5-methoxy-1-benzofuran-2-carbonyl)morpholin-2-yl]methoxy]phenyl]ethanone?
The canonical SMILES for 1-[3,4-dimethoxy-2-[[4-(5-methoxy-1-benzofuran-2-carbonyl)morpholin-2-yl]methoxy]phenyl]ethanone is COc1ccc2oc(C(=O)N3CCOC(COc4c(C(C)=O)ccc(OC)c4OC)C3)cc2c1.
What is the InChIKey of 1-[3,4-dimethoxy-2-[[4-(5-methoxy-1-benzofuran-2-carbonyl)morpholin-2-yl]methoxy]phenyl]ethanone?
The InChIKey is ALNPNERQRRNLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO8/c1-15(27)19-6-8-21(30-3)24(31-4)23(19)33-14-18-13-26(9-10-32-18)25(28)22-12-16-11-17(29-2)5-7-20(16)34-22/h5-8,11-12,18H,9-10,13-14H2,1-4H3.
What are the key properties of 1-[3,4-dimethoxy-2-[[4-(5-methoxy-1-benzofuran-2-carbonyl)morpholin-2-yl]methoxy]phenyl]ethanone?
1-[3,4-dimethoxy-2-[[4-(5-methoxy-1-benzofuran-2-carbonyl)morpholin-2-yl]methoxy]phenyl]ethanone has a molecular weight of 469.49 g/mol, XLogP of 3.58, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,4-dimethoxy-2-[[4-(5-methoxy-1-benzofuran-2-carbonyl)morpholin-2-yl]methoxy]phenyl]ethanone is sourced from PubChem (CID 3773726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).