[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 8-methoxy-2-oxochromene-3-carboxylate

C19H21NO7 — CID 2361326

IUPAC[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 8-methoxy-2-oxochromene-3-carboxylate
SMILESCOc1cccc2cc(C(=O)OCC(=O)N3C[C@H](C)O[C@@H](C)C3)c(=O)oc12
InChIInChI=1S/C19H21NO7/c1-11-8-20(9-12(2)26-11)16(21)10-25-18(22)14-7-13-5-4-6-15(24-3)17(13)27-19(14)23/h4-7,11-12H,8-10H2,1-3H3/t11-,12-/m0/s1
InChIKeyNIEJHOQJXMMZRT-RYUDHWBXSA-N
MW375.38 g/mol
LogP1.59
Rot. Bonds4

About [2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 8-methoxy-2-oxochromene-3-carboxylate

[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 8-methoxy-2-oxochromene-3-carboxylate (PubChem CID 2361326) has the molecular formula C19H21NO7 and a molecular weight of 375.38 g/mol. Its IUPAC name is [2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 8-methoxy-2-oxochromene-3-carboxylate.

Molecular Properties

Compound Name[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 8-methoxy-2-oxochromene-3-carboxylate
PubChem CID2361326
Molecular FormulaC19H21NO7
Molecular Weight375.38 g/mol
Exact Mass375.13
IUPAC Name[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 8-methoxy-2-oxochromene-3-carboxylate
SMILESCOc1cccc2cc(C(=O)OCC(=O)N3C[C@H](C)O[C@@H](C)C3)c(=O)oc12
InChIInChI=1S/C19H21NO7/c1-11-8-20(9-12(2)26-11)16(21)10-25-18(22)14-7-13-5-4-6-15(24-3)17(13)27-19(14)23/h4-7,11-12H,8-10H2,1-3H3/t11-,12-/m0/s1
InChIKeyNIEJHOQJXMMZRT-RYUDHWBXSA-N
XLogP1.59
TPSA95.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2,3-dimethoxybenzoate
CID 2503895
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] naphthalene-1-carboxylate
CID 4202152
[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2,4-dimethoxybenzoate
CID 2513155
3-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-8-methoxychromen-2-one
CID 2146242
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-methoxy-5-sulfamoylbenzoate
CID 16518493
bis[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] pyridine-2,6-dicarboxylate
CID 42988833
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 8-methoxy-2-oxochromene-3-carboxylate
CID 23937980
[2-(2-carbamoylanilino)-2-oxoethyl] 8-methoxy-2-oxochromene-3-carboxylate
CID 23964198
3-(azetidine-1-carbonyl)-8-methoxychromen-2-one
CID 2443516
3-(azocane-1-carbonyl)-8-methoxychromen-2-one
CID 6471057
[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 8-methoxy-2-oxochromene-3-carboxylate
CID 23856868
[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 9,10-dioxoanthracene-1-carboxylate
CID 7427415

Frequently Asked Questions

What is the IUPAC name of [2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 8-methoxy-2-oxochromene-3-carboxylate?
The IUPAC name of [2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 8-methoxy-2-oxochromene-3-carboxylate (CID 2361326) is [2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 8-methoxy-2-oxochromene-3-carboxylate.
What is the SMILES notation for [2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 8-methoxy-2-oxochromene-3-carboxylate?
The canonical SMILES for [2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 8-methoxy-2-oxochromene-3-carboxylate is COc1cccc2cc(C(=O)OCC(=O)N3C[C@H](C)O[C@@H](C)C3)c(=O)oc12.
What is the InChIKey of [2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 8-methoxy-2-oxochromene-3-carboxylate?
The InChIKey is NIEJHOQJXMMZRT-RYUDHWBXSA-N. The full InChI is InChI=1S/C19H21NO7/c1-11-8-20(9-12(2)26-11)16(21)10-25-18(22)14-7-13-5-4-6-15(24-3)17(13)27-19(14)23/h4-7,11-12H,8-10H2,1-3H3/t11-,12-/m0/s1.
What are the key properties of [2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 8-methoxy-2-oxochromene-3-carboxylate?
[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 8-methoxy-2-oxochromene-3-carboxylate has a molecular weight of 375.38 g/mol, XLogP of 1.59, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 8-methoxy-2-oxochromene-3-carboxylate is sourced from PubChem (CID 2361326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).