[2-(cyclohexylamino)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate

C15H19NO4 — CID 2365694

IUPAC[2-(cyclohexylamino)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
SMILESO=C(COC(=O)/C=C/c1ccco1)NC1CCCCC1
InChIInChI=1S/C15H19NO4/c17-14(16-12-5-2-1-3-6-12)11-20-15(18)9-8-13-7-4-10-19-13/h4,7-10,12H,1-3,5-6,11H2,(H,16,17)/b9-8+
InChIKeyBMOHRRQYGWKGIF-CMDGGOBGSA-N
MW277.32 g/mol
LogP2.28
Rot. Bonds5

About [2-(cyclohexylamino)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate

[2-(cyclohexylamino)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate (PubChem CID 2365694) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is [2-(cyclohexylamino)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate.

Molecular Properties

Compound Name[2-(cyclohexylamino)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
PubChem CID2365694
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name[2-(cyclohexylamino)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
SMILESO=C(COC(=O)/C=C/c1ccco1)NC1CCCCC1
InChIInChI=1S/C15H19NO4/c17-14(16-12-5-2-1-3-6-12)11-20-15(18)9-8-13-7-4-10-19-13/h4,7-10,12H,1-3,5-6,11H2,(H,16,17)/b9-8+
InChIKeyBMOHRRQYGWKGIF-CMDGGOBGSA-N
XLogP2.28
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylamino)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate?
The IUPAC name of [2-(cyclohexylamino)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate (CID 2365694) is [2-(cyclohexylamino)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate.
What is the SMILES notation for [2-(cyclohexylamino)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate?
The canonical SMILES for [2-(cyclohexylamino)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate is O=C(COC(=O)/C=C/c1ccco1)NC1CCCCC1.
What is the InChIKey of [2-(cyclohexylamino)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate?
The InChIKey is BMOHRRQYGWKGIF-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H19NO4/c17-14(16-12-5-2-1-3-6-12)11-20-15(18)9-8-13-7-4-10-19-13/h4,7-10,12H,1-3,5-6,11H2,(H,16,17)/b9-8+.
What are the key properties of [2-(cyclohexylamino)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate?
[2-(cyclohexylamino)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate has a molecular weight of 277.32 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylamino)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate is sourced from PubChem (CID 2365694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).