3-(2,6-dimethylmorpholine-4-carbonyl)-8-ethoxychromen-2-one

C18H21NO5 — CID 6471808

IUPAC3-(2,6-dimethylmorpholine-4-carbonyl)-8-ethoxychromen-2-one
SMILESCCOc1cccc2cc(C(=O)N3CC(C)OC(C)C3)c(=O)oc12
InChIInChI=1S/C18H21NO5/c1-4-22-15-7-5-6-13-8-14(18(21)24-16(13)15)17(20)19-9-11(2)23-12(3)10-19/h5-8,11-12H,4,9-10H2,1-3H3
InChIKeyKZWLHBUBHNUFFB-UHFFFAOYSA-N
MW331.37 g/mol
LogP2.44
Rot. Bonds3

About 3-(2,6-dimethylmorpholine-4-carbonyl)-8-ethoxychromen-2-one

3-(2,6-dimethylmorpholine-4-carbonyl)-8-ethoxychromen-2-one (PubChem CID 6471808) has the molecular formula C18H21NO5 and a molecular weight of 331.37 g/mol. Its IUPAC name is 3-(2,6-dimethylmorpholine-4-carbonyl)-8-ethoxychromen-2-one.

Molecular Properties

Compound Name3-(2,6-dimethylmorpholine-4-carbonyl)-8-ethoxychromen-2-one
PubChem CID6471808
Molecular FormulaC18H21NO5
Molecular Weight331.37 g/mol
Exact Mass331.14
IUPAC Name3-(2,6-dimethylmorpholine-4-carbonyl)-8-ethoxychromen-2-one
SMILESCCOc1cccc2cc(C(=O)N3CC(C)OC(C)C3)c(=O)oc12
InChIInChI=1S/C18H21NO5/c1-4-22-15-7-5-6-13-8-14(18(21)24-16(13)15)17(20)19-9-11(2)23-12(3)10-19/h5-8,11-12H,4,9-10H2,1-3H3
InChIKeyKZWLHBUBHNUFFB-UHFFFAOYSA-N
XLogP2.44
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(4-Morpholinylcarbonyl)-2H-1-benzopyran-2-one
CID 28914
8-methoxy-2-oxo-N-(2-phenylethyl)-2H-chromene-3-carboxamide
CID 712647
Coumarin, 3-(piperidinocarbonyl)-
CID 28913
8-Allyl-3-(morpholine-4-carbonyl)-chromen-2-one
CID 1108244
8-Ethoxy-3-(morpholin-4-ylcarbonyl)chromen-2-one
CID 1247427
ethyl 1-(2-oxo-2H-chromene-3-carbonyl)piperidine-4-carboxylate
CID 1505053
8-methoxy-2-oxo-N-prop-2-enylchromene-3-carboxamide
CID 2146230
[2-(2,6-Dimethylmorpholin-4-yl)-2-oxoethyl] 8-methoxy-2-oxochromene-3-carboxylate
CID 4248118
[2-(3,5-Dimethylpiperidin-1-yl)-2-oxoethyl] 2-oxochromene-3-carboxylate
CID 4421749
(2E)-3-(3,4-dimethoxyphenyl)-1-(2,6-dimethylmorpholin-4-yl)prop-2-en-1-one
CID 5737662
ethyl 1-[2-[(E)-3-(2,3-dimethoxyphenyl)prop-2-enoyl]oxyacetyl]piperidine-4-carboxylate
CID 6068686
(E)-3-(2,3-dimethoxyphenyl)-1-(2,6-dimethylmorpholin-4-yl)prop-2-en-1-one
CID 6211927

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylmorpholine-4-carbonyl)-8-ethoxychromen-2-one?
The IUPAC name of 3-(2,6-dimethylmorpholine-4-carbonyl)-8-ethoxychromen-2-one (CID 6471808) is 3-(2,6-dimethylmorpholine-4-carbonyl)-8-ethoxychromen-2-one.
What is the SMILES notation for 3-(2,6-dimethylmorpholine-4-carbonyl)-8-ethoxychromen-2-one?
The canonical SMILES for 3-(2,6-dimethylmorpholine-4-carbonyl)-8-ethoxychromen-2-one is CCOc1cccc2cc(C(=O)N3CC(C)OC(C)C3)c(=O)oc12.
What is the InChIKey of 3-(2,6-dimethylmorpholine-4-carbonyl)-8-ethoxychromen-2-one?
The InChIKey is KZWLHBUBHNUFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO5/c1-4-22-15-7-5-6-13-8-14(18(21)24-16(13)15)17(20)19-9-11(2)23-12(3)10-19/h5-8,11-12H,4,9-10H2,1-3H3.
What are the key properties of 3-(2,6-dimethylmorpholine-4-carbonyl)-8-ethoxychromen-2-one?
3-(2,6-dimethylmorpholine-4-carbonyl)-8-ethoxychromen-2-one has a molecular weight of 331.37 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylmorpholine-4-carbonyl)-8-ethoxychromen-2-one is sourced from PubChem (CID 6471808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).