[(2R)-1-[2-[(2-acetyl-4-fluorophenoxy)methyl]morpholin-4-yl]-1-oxopropan-2-yl] N-phenylcarbamate

C23H25FN2O6 — CID 74224503

IUPAC[(2R)-1-[2-[(2-acetyl-4-fluorophenoxy)methyl]morpholin-4-yl]-1-oxopropan-2-yl] N-phenylcarbamate
SMILESCC(=O)c1cc(F)ccc1OCC1CN(C(=O)[C@@H](C)OC(=O)Nc2ccccc2)CCO1
InChIInChI=1S/C23H25FN2O6/c1-15(27)20-12-17(24)8-9-21(20)31-14-19-13-26(10-11-30-19)22(28)16(2)32-23(29)25-18-6-4-3-5-7-18/h3-9,12,16,19H,10-11,13-14H2,1-2H3,(H,25,29)/t16-,19?/m1/s1
InChIKeyKTIYGEVWEXETKP-VTBWFHPJSA-N
MW444.46 g/mol
LogP3.27
Rot. Bonds7

About [(2R)-1-[2-[(2-acetyl-4-fluorophenoxy)methyl]morpholin-4-yl]-1-oxopropan-2-yl] N-phenylcarbamate

[(2R)-1-[2-[(2-acetyl-4-fluorophenoxy)methyl]morpholin-4-yl]-1-oxopropan-2-yl] N-phenylcarbamate (PubChem CID 74224503) has the molecular formula C23H25FN2O6 and a molecular weight of 444.46 g/mol. Its IUPAC name is [(2R)-1-[2-[(2-acetyl-4-fluorophenoxy)methyl]morpholin-4-yl]-1-oxopropan-2-yl] N-phenylcarbamate.

Molecular Properties

Compound Name[(2R)-1-[2-[(2-acetyl-4-fluorophenoxy)methyl]morpholin-4-yl]-1-oxopropan-2-yl] N-phenylcarbamate
PubChem CID74224503
Molecular FormulaC23H25FN2O6
Molecular Weight444.46 g/mol
Exact Mass444.17
IUPAC Name[(2R)-1-[2-[(2-acetyl-4-fluorophenoxy)methyl]morpholin-4-yl]-1-oxopropan-2-yl] N-phenylcarbamate
SMILESCC(=O)c1cc(F)ccc1OCC1CN(C(=O)[C@@H](C)OC(=O)Nc2ccccc2)CCO1
InChIInChI=1S/C23H25FN2O6/c1-15(27)20-12-17(24)8-9-21(20)31-14-19-13-26(10-11-30-19)22(28)16(2)32-23(29)25-18-6-4-3-5-7-18/h3-9,12,16,19H,10-11,13-14H2,1-2H3,(H,25,29)/t16-,19?/m1/s1
InChIKeyKTIYGEVWEXETKP-VTBWFHPJSA-N
XLogP3.27
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.46
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(2R)-1-[2-[(2-acetyl-4-fluorophenoxy)methyl]morpholin-4-yl]-1-oxopropan-2-yl] N-phenylcarbamate with MolForge

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Related Compounds

[(2R)-1-[2-[(2,5-difluorophenoxy)methyl]morpholin-4-yl]-1-oxopropan-2-yl] N-phenylcarbamate
CID 74226383
2-[(2-acetyl-4-fluorophenoxy)methyl]-N-(4-sulfamoylphenyl)morpholine-4-carbothioamide
CID 3678645
1-[2-[[4-(3-bromo-2-fluorobenzoyl)morpholin-2-yl]methoxy]-5-fluorophenyl]ethanone
CID 3311022
1-[2-[(2-acetyl-4-fluorophenoxy)methyl]morpholine-4-carbonyl]cyclopropane-1-carboxamide
CID 3601027
1-[2-[(2-acetyl-4-fluorophenoxy)methyl]morpholin-4-yl]-2-(4-methylphenyl)sulfonylethanone
CID 5154703
1-[2-[(2-acetyl-4-fluorophenoxy)methyl]morpholin-4-yl]-4-(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 74228782
2-[[2-[(2-acetyl-4-fluorophenoxy)methyl]morpholine-4-carbonyl]amino]ethyl 2-methylprop-2-enoate
CID 3857212
1-[2-[[4-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carbonyl]morpholin-2-yl]methoxy]-5-fluorophenyl]ethanone
CID 3447691
4-fluoro-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzoic acid
CID 107014520
1-[2-[(2-acetyl-4-fluorophenoxy)methyl]morpholin-4-yl]-3-(1,3-benzothiazol-2-ylsulfanyl)propan-1-one
CID 3758604
benzyl N-[1-[2-[(4-fluorophenoxy)methyl]morpholin-4-yl]-1-oxopropan-2-yl]carbamate
CID 46100288
1-[2-[(2-acetyl-4-fluorophenoxy)methyl]morpholin-4-yl]-3-(2-chloro-3,4-dimethoxyphenyl)prop-2-en-1-one
CID 3821360

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[2-[(2-acetyl-4-fluorophenoxy)methyl]morpholin-4-yl]-1-oxopropan-2-yl] N-phenylcarbamate?
The IUPAC name of [(2R)-1-[2-[(2-acetyl-4-fluorophenoxy)methyl]morpholin-4-yl]-1-oxopropan-2-yl] N-phenylcarbamate (CID 74224503) is [(2R)-1-[2-[(2-acetyl-4-fluorophenoxy)methyl]morpholin-4-yl]-1-oxopropan-2-yl] N-phenylcarbamate.
What is the SMILES notation for [(2R)-1-[2-[(2-acetyl-4-fluorophenoxy)methyl]morpholin-4-yl]-1-oxopropan-2-yl] N-phenylcarbamate?
The canonical SMILES for [(2R)-1-[2-[(2-acetyl-4-fluorophenoxy)methyl]morpholin-4-yl]-1-oxopropan-2-yl] N-phenylcarbamate is CC(=O)c1cc(F)ccc1OCC1CN(C(=O)[C@@H](C)OC(=O)Nc2ccccc2)CCO1.
What is the InChIKey of [(2R)-1-[2-[(2-acetyl-4-fluorophenoxy)methyl]morpholin-4-yl]-1-oxopropan-2-yl] N-phenylcarbamate?
The InChIKey is KTIYGEVWEXETKP-VTBWFHPJSA-N. The full InChI is InChI=1S/C23H25FN2O6/c1-15(27)20-12-17(24)8-9-21(20)31-14-19-13-26(10-11-30-19)22(28)16(2)32-23(29)25-18-6-4-3-5-7-18/h3-9,12,16,19H,10-11,13-14H2,1-2H3,(H,25,29)/t16-,19?/m1/s1.
What are the key properties of [(2R)-1-[2-[(2-acetyl-4-fluorophenoxy)methyl]morpholin-4-yl]-1-oxopropan-2-yl] N-phenylcarbamate?
[(2R)-1-[2-[(2-acetyl-4-fluorophenoxy)methyl]morpholin-4-yl]-1-oxopropan-2-yl] N-phenylcarbamate has a molecular weight of 444.46 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[2-[(2-acetyl-4-fluorophenoxy)methyl]morpholin-4-yl]-1-oxopropan-2-yl] N-phenylcarbamate is sourced from PubChem (CID 74224503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).