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

C21H27NO5 — CID 7186969

IUPAC[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
SMILESCCN(C(=O)COC(=O)c1oc2ccc(OC)cc2c1C)C1CCCCC1
InChIInChI=1S/C21H27NO5/c1-4-22(15-8-6-5-7-9-15)19(23)13-26-21(24)20-14(2)17-12-16(25-3)10-11-18(17)27-20/h10-12,15H,4-9,13H2,1-3H3
InChIKeyUJDLCFDKUWYEFS-UHFFFAOYSA-N
MW373.45 g/mol
LogP4.09
Rot. Bonds6

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

[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate (PubChem CID 7186969) has the molecular formula C21H27NO5 and a molecular weight of 373.45 g/mol. Its IUPAC name is [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Name[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
PubChem CID7186969
Molecular FormulaC21H27NO5
Molecular Weight373.45 g/mol
Exact Mass373.19
IUPAC Name[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
SMILESCCN(C(=O)COC(=O)c1oc2ccc(OC)cc2c1C)C1CCCCC1
InChIInChI=1S/C21H27NO5/c1-4-22(15-8-6-5-7-9-15)19(23)13-26-21(24)20-14(2)17-12-16(25-3)10-11-18(17)27-20/h10-12,15H,4-9,13H2,1-3H3
InChIKeyUJDLCFDKUWYEFS-UHFFFAOYSA-N
XLogP4.09
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate?
The IUPAC name of [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate (CID 7186969) is [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate.
What is the SMILES notation for [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate?
The canonical SMILES for [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate is CCN(C(=O)COC(=O)c1oc2ccc(OC)cc2c1C)C1CCCCC1.
What is the InChIKey of [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate?
The InChIKey is UJDLCFDKUWYEFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO5/c1-4-22(15-8-6-5-7-9-15)19(23)13-26-21(24)20-14(2)17-12-16(25-3)10-11-18(17)27-20/h10-12,15H,4-9,13H2,1-3H3.
What are the key properties of [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate?
[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate has a molecular weight of 373.45 g/mol, XLogP of 4.09, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate is sourced from PubChem (CID 7186969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).