2-(2-fluorophenoxy)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]acetamide

C21H26FN2O3+ — CID 9144554

IUPAC2-(2-fluorophenoxy)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]acetamide
SMILESCc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)COc2ccccc2F)cc1
InChIInChI=1S/C21H25FN2O3/c1-16-6-8-17(9-7-16)19(14-24-10-12-26-13-11-24)23-21(25)15-27-20-5-3-2-4-18(20)22/h2-9,19H,10-15H2,1H3,(H,23,25)/p+1/t19-/m1/s1
InChIKeyQOIDLPYDMVOLTF-LJQANCHMSA-O
MW373.45 g/mol
LogP1.29
Rot. Bonds7

About 2-(2-fluorophenoxy)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]acetamide

2-(2-fluorophenoxy)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]acetamide (PubChem CID 9144554) has the molecular formula C21H26FN2O3+ and a molecular weight of 373.45 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]acetamide.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]acetamide
PubChem CID9144554
Molecular FormulaC21H26FN2O3+
Molecular Weight373.45 g/mol
Exact Mass373.19
IUPAC Name2-(2-fluorophenoxy)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]acetamide
SMILESCc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)COc2ccccc2F)cc1
InChIInChI=1S/C21H25FN2O3/c1-16-6-8-17(9-7-16)19(14-24-10-12-26-13-11-24)23-21(25)15-27-20-5-3-2-4-18(20)22/h2-9,19H,10-15H2,1H3,(H,23,25)/p+1/t19-/m1/s1
InChIKeyQOIDLPYDMVOLTF-LJQANCHMSA-O
XLogP1.29
TPSA52.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-cyanophenoxy)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]acetamide
CID 9144508
2-(2-chlorophenoxy)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide
CID 9148972
N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 9144552
2-(4-chloro-2-methylphenoxy)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide
CID 9148638
2-(2-chloro-6-fluorophenyl)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]acetamide
CID 9144432
2-(4-chlorophenyl)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]acetamide
CID 9144440
2-(4-chloro-3-methylphenoxy)-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide
CID 9149088
N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 9144654
2-(2-fluorophenoxy)-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
CID 103772671
(2S)-1-(2-fluorophenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol
CID 2330413
methyl 4-[[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]carbamoyl]benzoate
CID 9144686
N-[2-[[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 9144588

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]acetamide?
The IUPAC name of 2-(2-fluorophenoxy)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]acetamide (CID 9144554) is 2-(2-fluorophenoxy)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]acetamide.
What is the SMILES notation for 2-(2-fluorophenoxy)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]acetamide?
The canonical SMILES for 2-(2-fluorophenoxy)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]acetamide is Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)COc2ccccc2F)cc1.
What is the InChIKey of 2-(2-fluorophenoxy)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]acetamide?
The InChIKey is QOIDLPYDMVOLTF-LJQANCHMSA-O. The full InChI is InChI=1S/C21H25FN2O3/c1-16-6-8-17(9-7-16)19(14-24-10-12-26-13-11-24)23-21(25)15-27-20-5-3-2-4-18(20)22/h2-9,19H,10-15H2,1H3,(H,23,25)/p+1/t19-/m1/s1.
What are the key properties of 2-(2-fluorophenoxy)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]acetamide?
2-(2-fluorophenoxy)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]acetamide has a molecular weight of 373.45 g/mol, XLogP of 1.29, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]acetamide is sourced from PubChem (CID 9144554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).