2-(4-chloro-2-methylphenoxy)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide

C21H26ClN2O3+ — CID 9148638

IUPAC2-(4-chloro-2-methylphenoxy)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide
SMILESCc1cc(Cl)ccc1OCC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1
InChIInChI=1S/C21H25ClN2O3/c1-16-13-18(22)7-8-20(16)27-15-21(25)23-19(17-5-3-2-4-6-17)14-24-9-11-26-12-10-24/h2-8,13,19H,9-12,14-15H2,1H3,(H,23,25)/p+1/t19-/m0/s1
InChIKeyCYORTHJBZCRZTJ-IBGZPJMESA-O
MW389.90 g/mol
LogP1.80
Rot. Bonds7

About 2-(4-chloro-2-methylphenoxy)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide

2-(4-chloro-2-methylphenoxy)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide (PubChem CID 9148638) has the molecular formula C21H26ClN2O3+ and a molecular weight of 389.90 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide
PubChem CID9148638
Molecular FormulaC21H26ClN2O3+
Molecular Weight389.90 g/mol
Exact Mass389.16
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide
SMILESCc1cc(Cl)ccc1OCC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1
InChIInChI=1S/C21H25ClN2O3/c1-16-13-18(22)7-8-20(16)27-15-21(25)23-19(17-5-3-2-4-6-17)14-24-9-11-26-12-10-24/h2-8,13,19H,9-12,14-15H2,1H3,(H,23,25)/p+1/t19-/m0/s1
InChIKeyCYORTHJBZCRZTJ-IBGZPJMESA-O
XLogP1.80
TPSA52.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.90
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(4-chloro-2-methylphenoxy)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide with MolForge

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Related Compounds

2-(2-chlorophenoxy)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide
CID 9148972
2-(4-chloro-3-methylphenoxy)-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide
CID 9149088
2-(4-chloro-2-methylphenoxy)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide
CID 9148647
2-(2-fluorophenoxy)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]acetamide
CID 9144554
2-(4-chloro-2-methylphenoxy)-N-[furan-2-yl(phenyl)methyl]acetamide
CID 55384972
2-(2-cyanophenoxy)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]acetamide
CID 9144508
4-chloro-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]benzamide
CID 9148310
2-(4-chloro-2-methylphenoxy)-N-[(S)-phenyl(pyridin-2-yl)methyl]acetamide
CID 25386860
2-(4-chlorophenyl)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]acetamide
CID 9144440
2-(4-chloro-2-methylphenoxy)-N-pentan-3-ylacetamide
CID 112779196
2-(2,5-dichlorophenoxy)-N-(2-hydroxy-1-phenylethyl)acetamide
CID 110931209
2-(2,4-dimethylphenoxy)-N-(1-phenylpropyl)acetamide
CID 17328158

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide (CID 9148638) is 2-(4-chloro-2-methylphenoxy)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide is Cc1cc(Cl)ccc1OCC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide?
The InChIKey is CYORTHJBZCRZTJ-IBGZPJMESA-O. The full InChI is InChI=1S/C21H25ClN2O3/c1-16-13-18(22)7-8-20(16)27-15-21(25)23-19(17-5-3-2-4-6-17)14-24-9-11-26-12-10-24/h2-8,13,19H,9-12,14-15H2,1H3,(H,23,25)/p+1/t19-/m0/s1.
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide?
2-(4-chloro-2-methylphenoxy)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide has a molecular weight of 389.90 g/mol, XLogP of 1.80, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide is sourced from PubChem (CID 9148638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).