[2-(cyclohexylamino)-2-oxoethyl] 4-oxochromene-2-carboxylate

C18H19NO5 — CID 2343995

IUPAC[2-(cyclohexylamino)-2-oxoethyl] 4-oxochromene-2-carboxylate
SMILESO=C(COC(=O)c1cc(=O)c2ccccc2o1)NC1CCCCC1
InChIInChI=1S/C18H19NO5/c20-14-10-16(24-15-9-5-4-8-13(14)15)18(22)23-11-17(21)19-12-6-2-1-3-7-12/h4-5,8-10,12H,1-3,6-7,11H2,(H,19,21)
InChIKeyNFZLNDDVJXBQTE-UHFFFAOYSA-N
MW329.35 g/mol
LogP2.40
Rot. Bonds4

About [2-(cyclohexylamino)-2-oxoethyl] 4-oxochromene-2-carboxylate

[2-(cyclohexylamino)-2-oxoethyl] 4-oxochromene-2-carboxylate (PubChem CID 2343995) has the molecular formula C18H19NO5 and a molecular weight of 329.35 g/mol. Its IUPAC name is [2-(cyclohexylamino)-2-oxoethyl] 4-oxochromene-2-carboxylate.

Molecular Properties

Compound Name[2-(cyclohexylamino)-2-oxoethyl] 4-oxochromene-2-carboxylate
PubChem CID2343995
Molecular FormulaC18H19NO5
Molecular Weight329.35 g/mol
Exact Mass329.13
IUPAC Name[2-(cyclohexylamino)-2-oxoethyl] 4-oxochromene-2-carboxylate
SMILESO=C(COC(=O)c1cc(=O)c2ccccc2o1)NC1CCCCC1
InChIInChI=1S/C18H19NO5/c20-14-10-16(24-15-9-5-4-8-13(14)15)18(22)23-11-17(21)19-12-6-2-1-3-7-12/h4-5,8-10,12H,1-3,6-7,11H2,(H,19,21)
InChIKeyNFZLNDDVJXBQTE-UHFFFAOYSA-N
XLogP2.40
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylamino)-2-oxoethyl] 4-oxochromene-2-carboxylate?
The IUPAC name of [2-(cyclohexylamino)-2-oxoethyl] 4-oxochromene-2-carboxylate (CID 2343995) is [2-(cyclohexylamino)-2-oxoethyl] 4-oxochromene-2-carboxylate.
What is the SMILES notation for [2-(cyclohexylamino)-2-oxoethyl] 4-oxochromene-2-carboxylate?
The canonical SMILES for [2-(cyclohexylamino)-2-oxoethyl] 4-oxochromene-2-carboxylate is O=C(COC(=O)c1cc(=O)c2ccccc2o1)NC1CCCCC1.
What is the InChIKey of [2-(cyclohexylamino)-2-oxoethyl] 4-oxochromene-2-carboxylate?
The InChIKey is NFZLNDDVJXBQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO5/c20-14-10-16(24-15-9-5-4-8-13(14)15)18(22)23-11-17(21)19-12-6-2-1-3-7-12/h4-5,8-10,12H,1-3,6-7,11H2,(H,19,21).
What are the key properties of [2-(cyclohexylamino)-2-oxoethyl] 4-oxochromene-2-carboxylate?
[2-(cyclohexylamino)-2-oxoethyl] 4-oxochromene-2-carboxylate has a molecular weight of 329.35 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylamino)-2-oxoethyl] 4-oxochromene-2-carboxylate is sourced from PubChem (CID 2343995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).