[2-(N-cyclohexylanilino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate

C25H27NO5 — CID 7901935

IUPAC[2-(N-cyclohexylanilino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
SMILESCOc1ccc2c(CC(=O)OCC(=O)N(c3ccccc3)C3CCCCC3)coc2c1
InChIInChI=1S/C25H27NO5/c1-29-21-12-13-22-18(16-30-23(22)15-21)14-25(28)31-17-24(27)26(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2,4-5,8-9,12-13,15-16,20H,3,6-7,10-11,14,17H2,1H3
InChIKeyRIPSWLXGGVWQHY-UHFFFAOYSA-N
MW421.49 g/mol
LogP4.89
Rot. Bonds7

About [2-(N-cyclohexylanilino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate

[2-(N-cyclohexylanilino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate (PubChem CID 7901935) has the molecular formula C25H27NO5 and a molecular weight of 421.49 g/mol. Its IUPAC name is [2-(N-cyclohexylanilino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate.

Molecular Properties

Compound Name[2-(N-cyclohexylanilino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
PubChem CID7901935
Molecular FormulaC25H27NO5
Molecular Weight421.49 g/mol
Exact Mass421.19
IUPAC Name[2-(N-cyclohexylanilino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
SMILESCOc1ccc2c(CC(=O)OCC(=O)N(c3ccccc3)C3CCCCC3)coc2c1
InChIInChI=1S/C25H27NO5/c1-29-21-12-13-22-18(16-30-23(22)15-21)14-25(28)31-17-24(27)26(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2,4-5,8-9,12-13,15-16,20H,3,6-7,10-11,14,17H2,1H3
InChIKeyRIPSWLXGGVWQHY-UHFFFAOYSA-N
XLogP4.89
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.49
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-(N-cyclohexylanilino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate with MolForge

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Related Compounds

benzyl 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 8961126
2-oxopropyl 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 55327046
[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 7480706
N-cycloheptyl-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 2477196
[2-(N-cyclohexylanilino)-2-oxoethyl] (E)-3-(2,4-dimethoxyphenyl)prop-2-enoate
CID 7787875
[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 7901965
[2-(N-cyclohexylanilino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate
CID 7902946
[2-(tert-butylamino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 2538621
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 2538741
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 2128721
N-cyclopropyl-2-(6-methoxy-1-benzofuran-3-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 17430809
N-(2-amino-1-cyclohexylethyl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 119590691

Frequently Asked Questions

What is the IUPAC name of [2-(N-cyclohexylanilino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate?
The IUPAC name of [2-(N-cyclohexylanilino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate (CID 7901935) is [2-(N-cyclohexylanilino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate.
What is the SMILES notation for [2-(N-cyclohexylanilino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate?
The canonical SMILES for [2-(N-cyclohexylanilino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate is COc1ccc2c(CC(=O)OCC(=O)N(c3ccccc3)C3CCCCC3)coc2c1.
What is the InChIKey of [2-(N-cyclohexylanilino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate?
The InChIKey is RIPSWLXGGVWQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO5/c1-29-21-12-13-22-18(16-30-23(22)15-21)14-25(28)31-17-24(27)26(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2,4-5,8-9,12-13,15-16,20H,3,6-7,10-11,14,17H2,1H3.
What are the key properties of [2-(N-cyclohexylanilino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate?
[2-(N-cyclohexylanilino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate has a molecular weight of 421.49 g/mol, XLogP of 4.89, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(N-cyclohexylanilino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate is sourced from PubChem (CID 7901935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).