[(2R)-1-[2-[(2,5-difluorophenoxy)methyl]morpholin-4-yl]-1-oxopropan-2-yl] N-phenylcarbamate

C21H22F2N2O5 — CID 74226383

IUPAC[(2R)-1-[2-[(2,5-difluorophenoxy)methyl]morpholin-4-yl]-1-oxopropan-2-yl] N-phenylcarbamate
SMILESC[C@@H](OC(=O)Nc1ccccc1)C(=O)N1CCOC(COc2cc(F)ccc2F)C1
InChIInChI=1S/C21H22F2N2O5/c1-14(30-21(27)24-16-5-3-2-4-6-16)20(26)25-9-10-28-17(12-25)13-29-19-11-15(22)7-8-18(19)23/h2-8,11,14,17H,9-10,12-13H2,1H3,(H,24,27)/t14-,17?/m1/s1
InChIKeyYWJDJFAUOVONKE-XPCCGILXSA-N
MW420.41 g/mol
LogP3.21
Rot. Bonds6

About [(2R)-1-[2-[(2,5-difluorophenoxy)methyl]morpholin-4-yl]-1-oxopropan-2-yl] N-phenylcarbamate

[(2R)-1-[2-[(2,5-difluorophenoxy)methyl]morpholin-4-yl]-1-oxopropan-2-yl] N-phenylcarbamate (PubChem CID 74226383) has the molecular formula C21H22F2N2O5 and a molecular weight of 420.41 g/mol. Its IUPAC name is [(2R)-1-[2-[(2,5-difluorophenoxy)methyl]morpholin-4-yl]-1-oxopropan-2-yl] N-phenylcarbamate.

Molecular Properties

Compound Name[(2R)-1-[2-[(2,5-difluorophenoxy)methyl]morpholin-4-yl]-1-oxopropan-2-yl] N-phenylcarbamate
PubChem CID74226383
Molecular FormulaC21H22F2N2O5
Molecular Weight420.41 g/mol
Exact Mass420.15
IUPAC Name[(2R)-1-[2-[(2,5-difluorophenoxy)methyl]morpholin-4-yl]-1-oxopropan-2-yl] N-phenylcarbamate
SMILESC[C@@H](OC(=O)Nc1ccccc1)C(=O)N1CCOC(COc2cc(F)ccc2F)C1
InChIInChI=1S/C21H22F2N2O5/c1-14(30-21(27)24-16-5-3-2-4-6-16)20(26)25-9-10-28-17(12-25)13-29-19-11-15(22)7-8-18(19)23/h2-8,11,14,17H,9-10,12-13H2,1H3,(H,24,27)/t14-,17?/m1/s1
InChIKeyYWJDJFAUOVONKE-XPCCGILXSA-N
XLogP3.21
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.41
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(2R)-1-[2-[(2,5-difluorophenoxy)methyl]morpholin-4-yl]-1-oxopropan-2-yl] N-phenylcarbamate with MolForge

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Related Compounds

[(2R)-1-[2-[(2-acetyl-4-fluorophenoxy)methyl]morpholin-4-yl]-1-oxopropan-2-yl] N-phenylcarbamate
CID 74224503
1-[2-[(2,5-difluorophenoxy)methyl]morpholin-4-yl]-3-phenylsulfanylprop-2-en-1-one
CID 3700593
1-[2-[(2,5-difluorophenoxy)methyl]morpholin-4-yl]-2-(3-methyl-1-benzothiophen-2-yl)ethanone
CID 4993392
(5-bromothiophen-2-yl)-[2-[(2,5-difluorophenoxy)methyl]morpholin-4-yl]methanone
CID 3752460
benzyl N-[1-[2-[(4-fluorophenoxy)methyl]morpholin-4-yl]-1-oxopropan-2-yl]carbamate
CID 46100288
4-fluoro-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzoic acid
CID 107014520
2-[(2S)-4-[(2R)-2-(3-fluorophenoxy)propanoyl]morpholin-2-yl]acetic acid
CID 125118657
3-(2-chloro-6-fluorophenyl)-1-[2-[(2,5-difluorophenoxy)methyl]morpholin-4-yl]prop-2-en-1-one
CID 3713766
2-(3-fluorophenoxy)-1-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one
CID 81208010
(4-chlorophenyl)-[2-[(2,4-difluorophenoxy)methyl]morpholin-4-yl]methanone
CID 46059327
2-[(3-methylphenoxy)methyl]-N-phenylmorpholine-4-carboxamide
CID 46059378
1-[2-[(2,5-difluorophenoxy)methyl]morpholin-4-yl]-3-[4-fluoro-2-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 3316326

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[2-[(2,5-difluorophenoxy)methyl]morpholin-4-yl]-1-oxopropan-2-yl] N-phenylcarbamate?
The IUPAC name of [(2R)-1-[2-[(2,5-difluorophenoxy)methyl]morpholin-4-yl]-1-oxopropan-2-yl] N-phenylcarbamate (CID 74226383) is [(2R)-1-[2-[(2,5-difluorophenoxy)methyl]morpholin-4-yl]-1-oxopropan-2-yl] N-phenylcarbamate.
What is the SMILES notation for [(2R)-1-[2-[(2,5-difluorophenoxy)methyl]morpholin-4-yl]-1-oxopropan-2-yl] N-phenylcarbamate?
The canonical SMILES for [(2R)-1-[2-[(2,5-difluorophenoxy)methyl]morpholin-4-yl]-1-oxopropan-2-yl] N-phenylcarbamate is C[C@@H](OC(=O)Nc1ccccc1)C(=O)N1CCOC(COc2cc(F)ccc2F)C1.
What is the InChIKey of [(2R)-1-[2-[(2,5-difluorophenoxy)methyl]morpholin-4-yl]-1-oxopropan-2-yl] N-phenylcarbamate?
The InChIKey is YWJDJFAUOVONKE-XPCCGILXSA-N. The full InChI is InChI=1S/C21H22F2N2O5/c1-14(30-21(27)24-16-5-3-2-4-6-16)20(26)25-9-10-28-17(12-25)13-29-19-11-15(22)7-8-18(19)23/h2-8,11,14,17H,9-10,12-13H2,1H3,(H,24,27)/t14-,17?/m1/s1.
What are the key properties of [(2R)-1-[2-[(2,5-difluorophenoxy)methyl]morpholin-4-yl]-1-oxopropan-2-yl] N-phenylcarbamate?
[(2R)-1-[2-[(2,5-difluorophenoxy)methyl]morpholin-4-yl]-1-oxopropan-2-yl] N-phenylcarbamate has a molecular weight of 420.41 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[2-[(2,5-difluorophenoxy)methyl]morpholin-4-yl]-1-oxopropan-2-yl] N-phenylcarbamate is sourced from PubChem (CID 74226383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).