(2R)-N-[(2S)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-2-(methoxymethyl)morpholine-4-carboxamide

C18H27FN2O3 — CID 95969370

IUPAC(2R)-N-[(2S)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-2-(methoxymethyl)morpholine-4-carboxamide
SMILESCOC[C@H]1CN(C(=O)N[C@@H](Cc2ccc(F)cc2)C(C)C)CCO1
InChIInChI=1S/C18H27FN2O3/c1-13(2)17(10-14-4-6-15(19)7-5-14)20-18(22)21-8-9-24-16(11-21)12-23-3/h4-7,13,16-17H,8-12H2,1-3H3,(H,20,22)/t16-,17+/m1/s1
InChIKeyHVWZZYAJUVIBRG-SJORKVTESA-N
MW338.42 g/mol
LogP2.45
Rot. Bonds6

About (2R)-N-[(2S)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-2-(methoxymethyl)morpholine-4-carboxamide

(2R)-N-[(2S)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-2-(methoxymethyl)morpholine-4-carboxamide (PubChem CID 95969370) has the molecular formula C18H27FN2O3 and a molecular weight of 338.42 g/mol. Its IUPAC name is (2R)-N-[(2S)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-2-(methoxymethyl)morpholine-4-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(2S)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-2-(methoxymethyl)morpholine-4-carboxamide
PubChem CID95969370
Molecular FormulaC18H27FN2O3
Molecular Weight338.42 g/mol
Exact Mass338.20
IUPAC Name(2R)-N-[(2S)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-2-(methoxymethyl)morpholine-4-carboxamide
SMILESCOC[C@H]1CN(C(=O)N[C@@H](Cc2ccc(F)cc2)C(C)C)CCO1
InChIInChI=1S/C18H27FN2O3/c1-13(2)17(10-14-4-6-15(19)7-5-14)20-18(22)21-8-9-24-16(11-21)12-23-3/h4-7,13,16-17H,8-12H2,1-3H3,(H,20,22)/t16-,17+/m1/s1
InChIKeyHVWZZYAJUVIBRG-SJORKVTESA-N
XLogP2.45
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-N-[(2S)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-2-(methoxymethyl)morpholine-4-carboxamide with MolForge

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Related Compounds

(3R)-N-[(2S)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-3-hydroxypiperidine-1-carboxamide
CID 95969356
(2S)-N-[(1S)-1-(2,5-difluorophenyl)propyl]-2-(methoxymethyl)morpholine-4-carboxamide
CID 97025790
(3R)-N-[(2R)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 97012359
N-(4-butylphenyl)-2-(methoxymethyl)morpholine-4-carboxamide
CID 71992880
1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]ethanone
CID 102604185
N-[1-(4-fluorophenyl)-3-methylbutan-2-yl]-3-methoxypropanamide
CID 71993281
(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
4-[3-[2-(methoxymethyl)morpholin-4-yl]-3-oxopropyl]benzoic acid
CID 119185780
benzyl N-[1-[2-[(4-fluorophenoxy)methyl]morpholin-4-yl]-1-oxopropan-2-yl]carbamate
CID 46100288
N-(1H-indol-2-ylmethyl)-2-(methoxymethyl)morpholine-4-carboxamide
CID 71868444
2-(4-fluorophenoxy)-1-[2-[(4-methylphenoxy)methyl]morpholin-4-yl]ethanone
CID 129316369

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2S)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-2-(methoxymethyl)morpholine-4-carboxamide?
The IUPAC name of (2R)-N-[(2S)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-2-(methoxymethyl)morpholine-4-carboxamide (CID 95969370) is (2R)-N-[(2S)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-2-(methoxymethyl)morpholine-4-carboxamide.
What is the SMILES notation for (2R)-N-[(2S)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-2-(methoxymethyl)morpholine-4-carboxamide?
The canonical SMILES for (2R)-N-[(2S)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-2-(methoxymethyl)morpholine-4-carboxamide is COC[C@H]1CN(C(=O)N[C@@H](Cc2ccc(F)cc2)C(C)C)CCO1.
What is the InChIKey of (2R)-N-[(2S)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-2-(methoxymethyl)morpholine-4-carboxamide?
The InChIKey is HVWZZYAJUVIBRG-SJORKVTESA-N. The full InChI is InChI=1S/C18H27FN2O3/c1-13(2)17(10-14-4-6-15(19)7-5-14)20-18(22)21-8-9-24-16(11-21)12-23-3/h4-7,13,16-17H,8-12H2,1-3H3,(H,20,22)/t16-,17+/m1/s1.
What are the key properties of (2R)-N-[(2S)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-2-(methoxymethyl)morpholine-4-carboxamide?
(2R)-N-[(2S)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-2-(methoxymethyl)morpholine-4-carboxamide has a molecular weight of 338.42 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2S)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-2-(methoxymethyl)morpholine-4-carboxamide is sourced from PubChem (CID 95969370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).