[2-(cyclohexylmethylamino)-2-oxoethyl] furan-2-carboxylate

C14H19NO4 — CID 7486753

IUPAC[2-(cyclohexylmethylamino)-2-oxoethyl] furan-2-carboxylate
SMILESO=C(COC(=O)c1ccco1)NCC1CCCCC1
InChIInChI=1S/C14H19NO4/c16-13(15-9-11-5-2-1-3-6-11)10-19-14(17)12-7-4-8-18-12/h4,7-8,11H,1-3,5-6,9-10H2,(H,15,16)
InChIKeyYATKAQJCXRMMNT-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.13
Rot. Bonds5

About [2-(cyclohexylmethylamino)-2-oxoethyl] furan-2-carboxylate

[2-(cyclohexylmethylamino)-2-oxoethyl] furan-2-carboxylate (PubChem CID 7486753) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is [2-(cyclohexylmethylamino)-2-oxoethyl] furan-2-carboxylate.

Molecular Properties

Compound Name[2-(cyclohexylmethylamino)-2-oxoethyl] furan-2-carboxylate
PubChem CID7486753
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name[2-(cyclohexylmethylamino)-2-oxoethyl] furan-2-carboxylate
SMILESO=C(COC(=O)c1ccco1)NCC1CCCCC1
InChIInChI=1S/C14H19NO4/c16-13(15-9-11-5-2-1-3-6-11)10-19-14(17)12-7-4-8-18-12/h4,7-8,11H,1-3,5-6,9-10H2,(H,15,16)
InChIKeyYATKAQJCXRMMNT-UHFFFAOYSA-N
XLogP2.13
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylmethylamino)-2-oxoethyl] furan-2-carboxylate?
The IUPAC name of [2-(cyclohexylmethylamino)-2-oxoethyl] furan-2-carboxylate (CID 7486753) is [2-(cyclohexylmethylamino)-2-oxoethyl] furan-2-carboxylate.
What is the SMILES notation for [2-(cyclohexylmethylamino)-2-oxoethyl] furan-2-carboxylate?
The canonical SMILES for [2-(cyclohexylmethylamino)-2-oxoethyl] furan-2-carboxylate is O=C(COC(=O)c1ccco1)NCC1CCCCC1.
What is the InChIKey of [2-(cyclohexylmethylamino)-2-oxoethyl] furan-2-carboxylate?
The InChIKey is YATKAQJCXRMMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c16-13(15-9-11-5-2-1-3-6-11)10-19-14(17)12-7-4-8-18-12/h4,7-8,11H,1-3,5-6,9-10H2,(H,15,16).
What are the key properties of [2-(cyclohexylmethylamino)-2-oxoethyl] furan-2-carboxylate?
[2-(cyclohexylmethylamino)-2-oxoethyl] furan-2-carboxylate has a molecular weight of 265.31 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylmethylamino)-2-oxoethyl] furan-2-carboxylate is sourced from PubChem (CID 7486753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).