[2,3-diacetyloxy-5-(morpholine-4-carbonyl)phenyl] acetate

C17H19NO8 — CID 12509978

IUPAC[2,3-diacetyloxy-5-(morpholine-4-carbonyl)phenyl] acetate
SMILESCC(=O)Oc1cc(C(=O)N2CCOCC2)cc(OC(C)=O)c1OC(C)=O
InChIInChI=1S/C17H19NO8/c1-10(19)24-14-8-13(17(22)18-4-6-23-7-5-18)9-15(25-11(2)20)16(14)26-12(3)21/h8-9H,4-7H2,1-3H3
InChIKeyKFTYVCOLLBXAFO-UHFFFAOYSA-N
MW365.34 g/mol
LogP0.93
Rot. Bonds4

About [2,3-diacetyloxy-5-(morpholine-4-carbonyl)phenyl] acetate

[2,3-diacetyloxy-5-(morpholine-4-carbonyl)phenyl] acetate (PubChem CID 12509978) has the molecular formula C17H19NO8 and a molecular weight of 365.34 g/mol. Its IUPAC name is [2,3-diacetyloxy-5-(morpholine-4-carbonyl)phenyl] acetate.

Molecular Properties

Compound Name[2,3-diacetyloxy-5-(morpholine-4-carbonyl)phenyl] acetate
PubChem CID12509978
Molecular FormulaC17H19NO8
Molecular Weight365.34 g/mol
Exact Mass365.11
IUPAC Name[2,3-diacetyloxy-5-(morpholine-4-carbonyl)phenyl] acetate
SMILESCC(=O)Oc1cc(C(=O)N2CCOCC2)cc(OC(C)=O)c1OC(C)=O
InChIInChI=1S/C17H19NO8/c1-10(19)24-14-8-13(17(22)18-4-6-23-7-5-18)9-15(25-11(2)20)16(14)26-12(3)21/h8-9H,4-7H2,1-3H3
InChIKeyKFTYVCOLLBXAFO-UHFFFAOYSA-N
XLogP0.93
TPSA108.44 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.34
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-[3-acetamido-5-(morpholine-4-carbonyl)phenyl]acetamide
CID 18105348
(3,4-dimethoxyphenyl)-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)methanone
CID 4600615
[2,6-dimethoxy-4-(2-oxo-1,3-oxazolidine-3-carbonyl)phenyl] acetate
CID 3039670
morpholin-4-yl-(3,4,5-trihydroxyphenyl)methanone
CID 3047894
(3-iodo-5-methoxy-4-propoxyphenyl)-morpholin-4-ylmethanone
CID 126375071
2,6-difluoro-4-(morpholine-4-carbonyl)benzamide
CID 68557409
[2-[4-(morpholine-4-carbonyl)-2-pyridinyl]-4-pyridinyl]-morpholin-4-ylmethanone
CID 171623322
[3-[2,6-dimethoxy-4-(morpholine-4-carbonyl)phenoxy]-2-hydroxypropyl]-propan-2-ylazanium chloride
CID 110181138
[2,3-diacetyloxy-5-(methylcarbamoyl)phenyl] acetate
CID 23335105
(3-amino-4-ethoxyphenyl)-morpholin-4-ylmethanone
CID 28689916
1,5-dioxa-9-azaspiro[5.5]undecan-9-yl-(3,4,5-trimethoxyphenyl)methanone
CID 90510481
(3,4,5-triacetyloxyphenyl) acetate
CID 15689628

Frequently Asked Questions

What is the IUPAC name of [2,3-diacetyloxy-5-(morpholine-4-carbonyl)phenyl] acetate?
The IUPAC name of [2,3-diacetyloxy-5-(morpholine-4-carbonyl)phenyl] acetate (CID 12509978) is [2,3-diacetyloxy-5-(morpholine-4-carbonyl)phenyl] acetate.
What is the SMILES notation for [2,3-diacetyloxy-5-(morpholine-4-carbonyl)phenyl] acetate?
The canonical SMILES for [2,3-diacetyloxy-5-(morpholine-4-carbonyl)phenyl] acetate is CC(=O)Oc1cc(C(=O)N2CCOCC2)cc(OC(C)=O)c1OC(C)=O.
What is the InChIKey of [2,3-diacetyloxy-5-(morpholine-4-carbonyl)phenyl] acetate?
The InChIKey is KFTYVCOLLBXAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO8/c1-10(19)24-14-8-13(17(22)18-4-6-23-7-5-18)9-15(25-11(2)20)16(14)26-12(3)21/h8-9H,4-7H2,1-3H3.
What are the key properties of [2,3-diacetyloxy-5-(morpholine-4-carbonyl)phenyl] acetate?
[2,3-diacetyloxy-5-(morpholine-4-carbonyl)phenyl] acetate has a molecular weight of 365.34 g/mol, XLogP of 0.93, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-diacetyloxy-5-(morpholine-4-carbonyl)phenyl] acetate is sourced from PubChem (CID 12509978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).