(2S)-N-[(1S)-1-(2,5-difluorophenyl)propyl]-2-(methoxymethyl)morpholine-4-carboxamide

C16H22F2N2O3 — CID 97025790

IUPAC(2S)-N-[(1S)-1-(2,5-difluorophenyl)propyl]-2-(methoxymethyl)morpholine-4-carboxamide
SMILESCC[C@H](NC(=O)N1CCO[C@H](COC)C1)c1cc(F)ccc1F
InChIInChI=1S/C16H22F2N2O3/c1-3-15(13-8-11(17)4-5-14(13)18)19-16(21)20-6-7-23-12(9-20)10-22-2/h4-5,8,12,15H,3,6-7,9-10H2,1-2H3,(H,19,21)/t12-,15-/m0/s1
InChIKeyREVZNPFSTPFXCV-WFASDCNBSA-N
MW328.36 g/mol
LogP2.47
Rot. Bonds5

About (2S)-N-[(1S)-1-(2,5-difluorophenyl)propyl]-2-(methoxymethyl)morpholine-4-carboxamide

(2S)-N-[(1S)-1-(2,5-difluorophenyl)propyl]-2-(methoxymethyl)morpholine-4-carboxamide (PubChem CID 97025790) has the molecular formula C16H22F2N2O3 and a molecular weight of 328.36 g/mol. Its IUPAC name is (2S)-N-[(1S)-1-(2,5-difluorophenyl)propyl]-2-(methoxymethyl)morpholine-4-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(1S)-1-(2,5-difluorophenyl)propyl]-2-(methoxymethyl)morpholine-4-carboxamide
PubChem CID97025790
Molecular FormulaC16H22F2N2O3
Molecular Weight328.36 g/mol
Exact Mass328.16
IUPAC Name(2S)-N-[(1S)-1-(2,5-difluorophenyl)propyl]-2-(methoxymethyl)morpholine-4-carboxamide
SMILESCC[C@H](NC(=O)N1CCO[C@H](COC)C1)c1cc(F)ccc1F
InChIInChI=1S/C16H22F2N2O3/c1-3-15(13-8-11(17)4-5-14(13)18)19-16(21)20-6-7-23-12(9-20)10-22-2/h4-5,8,12,15H,3,6-7,9-10H2,1-2H3,(H,19,21)/t12-,15-/m0/s1
InChIKeyREVZNPFSTPFXCV-WFASDCNBSA-N
XLogP2.47
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2,5-difluorophenyl)propylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122890
(2R)-N-[(2S)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-2-(methoxymethyl)morpholine-4-carboxamide
CID 95969370
(2S)-2-(methoxymethyl)-N-[(1R)-1-[(1R,2S)-2-(3-methylphenyl)cyclopropyl]ethyl]morpholine-4-carboxamide
CID 97219077
(2S)-2-(methoxymethyl)-N-[(1R)-1-[(1S,2S)-2-(3-methylphenyl)cyclopropyl]ethyl]morpholine-4-carboxamide
CID 97219075
N-(4-butylphenyl)-2-(methoxymethyl)morpholine-4-carboxamide
CID 71992880
4-amino-N-[1-(2,5-difluorophenyl)propyl]-3-methoxybutanamide
CID 120593154
N-[1-(2,5-difluorophenyl)propyl]piperidine-4-carboxamide
CID 119333172
3-amino-N-[1-(2,5-difluorophenyl)propyl]propanamide
CID 119333169
[2-[(3,4-difluorophenoxy)methyl]morpholin-4-yl]-(2,4-difluorophenyl)methanone
CID 71955615
(4-chlorophenyl)-[2-[(2,4-difluorophenoxy)methyl]morpholin-4-yl]methanone
CID 46059327
[(2R)-1-[2-[(2,5-difluorophenoxy)methyl]morpholin-4-yl]-1-oxopropan-2-yl] N-phenylcarbamate
CID 74226383
[4-[1-(2,5-difluorophenyl)ethyl]morpholin-2-yl]methanamine
CID 114394882

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1S)-1-(2,5-difluorophenyl)propyl]-2-(methoxymethyl)morpholine-4-carboxamide?
The IUPAC name of (2S)-N-[(1S)-1-(2,5-difluorophenyl)propyl]-2-(methoxymethyl)morpholine-4-carboxamide (CID 97025790) is (2S)-N-[(1S)-1-(2,5-difluorophenyl)propyl]-2-(methoxymethyl)morpholine-4-carboxamide.
What is the SMILES notation for (2S)-N-[(1S)-1-(2,5-difluorophenyl)propyl]-2-(methoxymethyl)morpholine-4-carboxamide?
The canonical SMILES for (2S)-N-[(1S)-1-(2,5-difluorophenyl)propyl]-2-(methoxymethyl)morpholine-4-carboxamide is CC[C@H](NC(=O)N1CCO[C@H](COC)C1)c1cc(F)ccc1F.
What is the InChIKey of (2S)-N-[(1S)-1-(2,5-difluorophenyl)propyl]-2-(methoxymethyl)morpholine-4-carboxamide?
The InChIKey is REVZNPFSTPFXCV-WFASDCNBSA-N. The full InChI is InChI=1S/C16H22F2N2O3/c1-3-15(13-8-11(17)4-5-14(13)18)19-16(21)20-6-7-23-12(9-20)10-22-2/h4-5,8,12,15H,3,6-7,9-10H2,1-2H3,(H,19,21)/t12-,15-/m0/s1.
What are the key properties of (2S)-N-[(1S)-1-(2,5-difluorophenyl)propyl]-2-(methoxymethyl)morpholine-4-carboxamide?
(2S)-N-[(1S)-1-(2,5-difluorophenyl)propyl]-2-(methoxymethyl)morpholine-4-carboxamide has a molecular weight of 328.36 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1S)-1-(2,5-difluorophenyl)propyl]-2-(methoxymethyl)morpholine-4-carboxamide is sourced from PubChem (CID 97025790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).