[4-(pyrrolidine-1-carbonyl)phenyl]methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate

C23H23NO5 — CID 32971967

IUPAC[4-(pyrrolidine-1-carbonyl)phenyl]methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate
SMILESCOc1ccc2c(CC(=O)OCc3ccc(C(=O)N4CCCC4)cc3)coc2c1
InChIInChI=1S/C23H23NO5/c1-27-19-8-9-20-18(15-28-21(20)13-19)12-22(25)29-14-16-4-6-17(7-5-16)23(26)24-10-2-3-11-24/h4-9,13,15H,2-3,10-12,14H2,1H3
InChIKeyRXQKUWMUWNJJPI-UHFFFAOYSA-N
MW393.44 g/mol
LogP3.96
Rot. Bonds6

About [4-(pyrrolidine-1-carbonyl)phenyl]methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate

[4-(pyrrolidine-1-carbonyl)phenyl]methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate (PubChem CID 32971967) has the molecular formula C23H23NO5 and a molecular weight of 393.44 g/mol. Its IUPAC name is [4-(pyrrolidine-1-carbonyl)phenyl]methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate.

Molecular Properties

Compound Name[4-(pyrrolidine-1-carbonyl)phenyl]methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate
PubChem CID32971967
Molecular FormulaC23H23NO5
Molecular Weight393.44 g/mol
Exact Mass393.16
IUPAC Name[4-(pyrrolidine-1-carbonyl)phenyl]methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate
SMILESCOc1ccc2c(CC(=O)OCc3ccc(C(=O)N4CCCC4)cc3)coc2c1
InChIInChI=1S/C23H23NO5/c1-27-19-8-9-20-18(15-28-21(20)13-19)12-22(25)29-14-16-4-6-17(7-5-16)23(26)24-10-2-3-11-24/h4-9,13,15H,2-3,10-12,14H2,1H3
InChIKeyRXQKUWMUWNJJPI-UHFFFAOYSA-N
XLogP3.96
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(pyrrolidine-1-carbonyl)phenyl]methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate with MolForge

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Related Compounds

2-oxopropyl 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 55327046
(3-cyanophenyl)methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 7901957
(2,5-dimethylphenyl)methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 7902091
methyl 4-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]oxymethyl]benzoate
CID 2418998
(5-acetyl-2-ethoxyphenyl)methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 9168101
2-(6-methoxy-1-benzofuran-3-yl)-1-[(4R)-4-methylazepan-1-yl]ethanone
CID 95138656
[2-(4-methoxyphenyl)-2-oxoethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate
CID 8525475
1-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]-2-(6-methoxy-1-benzofuran-3-yl)ethanone
CID 55474754
2-(5-methoxy-1-benzofuran-3-yl)-1-pyrrolidin-1-ylethanone
CID 110488784
methyl 2-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]oxymethyl]furan-3-carboxylate
CID 24626688
[2-(3,4-dichlorophenyl)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 42983061
4-hydroxy-N'-[2-(6-methoxy-1-benzofuran-3-yl)acetyl]benzohydrazide
CID 8895546

Frequently Asked Questions

What is the IUPAC name of [4-(pyrrolidine-1-carbonyl)phenyl]methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate?
The IUPAC name of [4-(pyrrolidine-1-carbonyl)phenyl]methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate (CID 32971967) is [4-(pyrrolidine-1-carbonyl)phenyl]methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate.
What is the SMILES notation for [4-(pyrrolidine-1-carbonyl)phenyl]methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate?
The canonical SMILES for [4-(pyrrolidine-1-carbonyl)phenyl]methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate is COc1ccc2c(CC(=O)OCc3ccc(C(=O)N4CCCC4)cc3)coc2c1.
What is the InChIKey of [4-(pyrrolidine-1-carbonyl)phenyl]methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate?
The InChIKey is RXQKUWMUWNJJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO5/c1-27-19-8-9-20-18(15-28-21(20)13-19)12-22(25)29-14-16-4-6-17(7-5-16)23(26)24-10-2-3-11-24/h4-9,13,15H,2-3,10-12,14H2,1H3.
What are the key properties of [4-(pyrrolidine-1-carbonyl)phenyl]methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate?
[4-(pyrrolidine-1-carbonyl)phenyl]methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate has a molecular weight of 393.44 g/mol, XLogP of 3.96, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(pyrrolidine-1-carbonyl)phenyl]methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate is sourced from PubChem (CID 32971967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).