[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate

C16H23NO4 — CID 7419328

IUPAC[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
SMILESCc1cc(C(=O)OCC(=O)NC2CCC(C)CC2)c(C)o1
InChIInChI=1S/C16H23NO4/c1-10-4-6-13(7-5-10)17-15(18)9-20-16(19)14-8-11(2)21-12(14)3/h8,10,13H,4-7,9H2,1-3H3,(H,17,18)
InChIKeyLKRVCGKGDLMIED-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.75
Rot. Bonds4

About [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate

[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate (PubChem CID 7419328) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate.

Molecular Properties

Compound Name[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
PubChem CID7419328
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
SMILESCc1cc(C(=O)OCC(=O)NC2CCC(C)CC2)c(C)o1
InChIInChI=1S/C16H23NO4/c1-10-4-6-13(7-5-10)17-15(18)9-20-16(19)14-8-11(2)21-12(14)3/h8,10,13H,4-7,9H2,1-3H3,(H,17,18)
InChIKeyLKRVCGKGDLMIED-UHFFFAOYSA-N
XLogP2.75
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate?
The IUPAC name of [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate (CID 7419328) is [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate.
What is the SMILES notation for [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate?
The canonical SMILES for [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate is Cc1cc(C(=O)OCC(=O)NC2CCC(C)CC2)c(C)o1.
What is the InChIKey of [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate?
The InChIKey is LKRVCGKGDLMIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-10-4-6-13(7-5-10)17-15(18)9-20-16(19)14-8-11(2)21-12(14)3/h8,10,13H,4-7,9H2,1-3H3,(H,17,18).
What are the key properties of [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate?
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate has a molecular weight of 293.36 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate is sourced from PubChem (CID 7419328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).