[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate

C20H25NO5 — CID 7186976

IUPAC[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
SMILESCOc1ccc2oc(C(=O)OCC(=O)N(C)C3CCCCC3)c(C)c2c1
InChIInChI=1S/C20H25NO5/c1-13-16-11-15(24-3)9-10-17(16)26-19(13)20(23)25-12-18(22)21(2)14-7-5-4-6-8-14/h9-11,14H,4-8,12H2,1-3H3
InChIKeySOJZEFXUTNDOCF-UHFFFAOYSA-N
MW359.42 g/mol
LogP3.70
Rot. Bonds5

About [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate

[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate (PubChem CID 7186976) has the molecular formula C20H25NO5 and a molecular weight of 359.42 g/mol. Its IUPAC name is [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Name[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
PubChem CID7186976
Molecular FormulaC20H25NO5
Molecular Weight359.42 g/mol
Exact Mass359.17
IUPAC Name[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
SMILESCOc1ccc2oc(C(=O)OCC(=O)N(C)C3CCCCC3)c(C)c2c1
InChIInChI=1S/C20H25NO5/c1-13-16-11-15(24-3)9-10-17(16)26-19(13)20(23)25-12-18(22)21(2)14-7-5-4-6-8-14/h9-11,14H,4-8,12H2,1-3H3
InChIKeySOJZEFXUTNDOCF-UHFFFAOYSA-N
XLogP3.70
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.42
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate?
The IUPAC name of [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate (CID 7186976) is [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate.
What is the SMILES notation for [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate?
The canonical SMILES for [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate is COc1ccc2oc(C(=O)OCC(=O)N(C)C3CCCCC3)c(C)c2c1.
What is the InChIKey of [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate?
The InChIKey is SOJZEFXUTNDOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO5/c1-13-16-11-15(24-3)9-10-17(16)26-19(13)20(23)25-12-18(22)21(2)14-7-5-4-6-8-14/h9-11,14H,4-8,12H2,1-3H3.
What are the key properties of [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate?
[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate has a molecular weight of 359.42 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate is sourced from PubChem (CID 7186976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).