[3-acetyl-4-(morpholine-4-carbonyloxy)phenyl] morpholine-4-carboxylate

C18H22N2O7 — CID 652800

IUPAC[3-acetyl-4-(morpholine-4-carbonyloxy)phenyl] morpholine-4-carboxylate
SMILESCC(=O)c1cc(OC(=O)N2CCOCC2)ccc1OC(=O)N1CCOCC1
InChIInChI=1S/C18H22N2O7/c1-13(21)15-12-14(26-17(22)19-4-8-24-9-5-19)2-3-16(15)27-18(23)20-6-10-25-11-7-20/h2-3,12H,4-11H2,1H3
InChIKeyZGTSAOWNUIXBPK-UHFFFAOYSA-N
MW378.38 g/mol
LogP1.55
Rot. Bonds3

About [3-acetyl-4-(morpholine-4-carbonyloxy)phenyl] morpholine-4-carboxylate

[3-acetyl-4-(morpholine-4-carbonyloxy)phenyl] morpholine-4-carboxylate (PubChem CID 652800) has the molecular formula C18H22N2O7 and a molecular weight of 378.38 g/mol. Its IUPAC name is [3-acetyl-4-(morpholine-4-carbonyloxy)phenyl] morpholine-4-carboxylate.

Molecular Properties

Compound Name[3-acetyl-4-(morpholine-4-carbonyloxy)phenyl] morpholine-4-carboxylate
PubChem CID652800
Molecular FormulaC18H22N2O7
Molecular Weight378.38 g/mol
Exact Mass378.14
IUPAC Name[3-acetyl-4-(morpholine-4-carbonyloxy)phenyl] morpholine-4-carboxylate
SMILESCC(=O)c1cc(OC(=O)N2CCOCC2)ccc1OC(=O)N1CCOCC1
InChIInChI=1S/C18H22N2O7/c1-13(21)15-12-14(26-17(22)19-4-8-24-9-5-19)2-3-16(15)27-18(23)20-6-10-25-11-7-20/h2-3,12H,4-11H2,1H3
InChIKeyZGTSAOWNUIXBPK-UHFFFAOYSA-N
XLogP1.55
TPSA94.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-Formyl-6-methoxyphenyl morpholine-4-carboxylate
CID 575110
(4-Propanoylphenyl) morpholine-4-carboxylate
CID 2927676
6-(2-Dimethylamino-ethoxy)-2-phenyl-chromen-4-one
CID 14982949
6-(6-Morpholin-4-yl-hexyloxy)-2-phenyl-chromen-4-one
CID 14982971
2-Cyclohexyl-6-(6-morpholin-4-yl-hexyloxy)-chromen-4-one
CID 14983045
2,7-Bis[2-(diethylamino)ethoxy]xanthen-9-one
CID 57401542
6-(2-Piperidin-1-ylethoxy)chromen-4-one
CID 141195299
6-(3-Piperidin-1-ylpropoxy)chromen-4-one
CID 141195316
Chromenone VII
CID 141195342
6-(4-Morpholin-4-ylbutoxy)chromen-4-one
CID 141195395
6-(3-Morpholin-4-ylpropoxy)chromen-4-one
CID 141195411
4-[2-[(1'-acetyl-4-oxo-6-spiro[3,4-dihydro-2H-1-benzopyran-2,4'-piperidine]yl)oxy]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester
CID 3238189

Frequently Asked Questions

What is the IUPAC name of [3-acetyl-4-(morpholine-4-carbonyloxy)phenyl] morpholine-4-carboxylate?
The IUPAC name of [3-acetyl-4-(morpholine-4-carbonyloxy)phenyl] morpholine-4-carboxylate (CID 652800) is [3-acetyl-4-(morpholine-4-carbonyloxy)phenyl] morpholine-4-carboxylate.
What is the SMILES notation for [3-acetyl-4-(morpholine-4-carbonyloxy)phenyl] morpholine-4-carboxylate?
The canonical SMILES for [3-acetyl-4-(morpholine-4-carbonyloxy)phenyl] morpholine-4-carboxylate is CC(=O)c1cc(OC(=O)N2CCOCC2)ccc1OC(=O)N1CCOCC1.
What is the InChIKey of [3-acetyl-4-(morpholine-4-carbonyloxy)phenyl] morpholine-4-carboxylate?
The InChIKey is ZGTSAOWNUIXBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O7/c1-13(21)15-12-14(26-17(22)19-4-8-24-9-5-19)2-3-16(15)27-18(23)20-6-10-25-11-7-20/h2-3,12H,4-11H2,1H3.
What are the key properties of [3-acetyl-4-(morpholine-4-carbonyloxy)phenyl] morpholine-4-carboxylate?
[3-acetyl-4-(morpholine-4-carbonyloxy)phenyl] morpholine-4-carboxylate has a molecular weight of 378.38 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-acetyl-4-(morpholine-4-carbonyloxy)phenyl] morpholine-4-carboxylate is sourced from PubChem (CID 652800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).