[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 5-(4-acetylphenyl)furan-2-carboxylate

C23H27NO5 — CID 8565759

IUPAC[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 5-(4-acetylphenyl)furan-2-carboxylate
SMILESCC(=O)c1ccc(-c2ccc(C(=O)OCC(=O)N(C)C3CCC(C)CC3)o2)cc1
InChIInChI=1S/C23H27NO5/c1-15-4-10-19(11-5-15)24(3)22(26)14-28-23(27)21-13-12-20(29-21)18-8-6-17(7-9-18)16(2)25/h6-9,12-13,15,19H,4-5,10-11,14H2,1-3H3
InChIKeyXSYIGIKIVZDRME-UHFFFAOYSA-N
MW397.47 g/mol
LogP4.34
Rot. Bonds6

About [2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 5-(4-acetylphenyl)furan-2-carboxylate

[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 5-(4-acetylphenyl)furan-2-carboxylate (PubChem CID 8565759) has the molecular formula C23H27NO5 and a molecular weight of 397.47 g/mol. Its IUPAC name is [2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 5-(4-acetylphenyl)furan-2-carboxylate.

Molecular Properties

Compound Name[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 5-(4-acetylphenyl)furan-2-carboxylate
PubChem CID8565759
Molecular FormulaC23H27NO5
Molecular Weight397.47 g/mol
Exact Mass397.19
IUPAC Name[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 5-(4-acetylphenyl)furan-2-carboxylate
SMILESCC(=O)c1ccc(-c2ccc(C(=O)OCC(=O)N(C)C3CCC(C)CC3)o2)cc1
InChIInChI=1S/C23H27NO5/c1-15-4-10-19(11-5-15)24(3)22(26)14-28-23(27)21-13-12-20(29-21)18-8-6-17(7-9-18)16(2)25/h6-9,12-13,15,19H,4-5,10-11,14H2,1-3H3
InChIKeyXSYIGIKIVZDRME-UHFFFAOYSA-N
XLogP4.34
TPSA76.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.47
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 5-(4-acetylphenyl)furan-2-carboxylate?
The IUPAC name of [2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 5-(4-acetylphenyl)furan-2-carboxylate (CID 8565759) is [2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 5-(4-acetylphenyl)furan-2-carboxylate.
What is the SMILES notation for [2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 5-(4-acetylphenyl)furan-2-carboxylate?
The canonical SMILES for [2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 5-(4-acetylphenyl)furan-2-carboxylate is CC(=O)c1ccc(-c2ccc(C(=O)OCC(=O)N(C)C3CCC(C)CC3)o2)cc1.
What is the InChIKey of [2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 5-(4-acetylphenyl)furan-2-carboxylate?
The InChIKey is XSYIGIKIVZDRME-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO5/c1-15-4-10-19(11-5-15)24(3)22(26)14-28-23(27)21-13-12-20(29-21)18-8-6-17(7-9-18)16(2)25/h6-9,12-13,15,19H,4-5,10-11,14H2,1-3H3.
What are the key properties of [2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 5-(4-acetylphenyl)furan-2-carboxylate?
[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 5-(4-acetylphenyl)furan-2-carboxylate has a molecular weight of 397.47 g/mol, XLogP of 4.34, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 5-(4-acetylphenyl)furan-2-carboxylate is sourced from PubChem (CID 8565759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).