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

C20H24ClN2O3+ — CID 9148972

IUPAC2-(2-chlorophenoxy)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide
SMILESO=C(COc1ccccc1Cl)N[C@@H](C[NH+]1CCOCC1)c1ccccc1
InChIInChI=1S/C20H23ClN2O3/c21-17-8-4-5-9-19(17)26-15-20(24)22-18(16-6-2-1-3-7-16)14-23-10-12-25-13-11-23/h1-9,18H,10-15H2,(H,22,24)/p+1/t18-/m0/s1
InChIKeyUMIQCNLHQPAVFH-SFHVURJKSA-O
MW375.88 g/mol
LogP1.49
Rot. Bonds7

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

2-(2-chlorophenoxy)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide (PubChem CID 9148972) has the molecular formula C20H24ClN2O3+ and a molecular weight of 375.88 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide
PubChem CID9148972
Molecular FormulaC20H24ClN2O3+
Molecular Weight375.88 g/mol
Exact Mass375.15
IUPAC Name2-(2-chlorophenoxy)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide
SMILESO=C(COc1ccccc1Cl)N[C@@H](C[NH+]1CCOCC1)c1ccccc1
InChIInChI=1S/C20H23ClN2O3/c21-17-8-4-5-9-19(17)26-15-20(24)22-18(16-6-2-1-3-7-16)14-23-10-12-25-13-11-23/h1-9,18H,10-15H2,(H,22,24)/p+1/t18-/m0/s1
InChIKeyUMIQCNLHQPAVFH-SFHVURJKSA-O
XLogP1.49
TPSA52.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.88
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-2-methylphenoxy)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide
CID 9148638
2-(4-chloro-3-methylphenoxy)-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide
CID 9149088
2-(2-fluorophenoxy)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]acetamide
CID 9144554
2-(2-cyanophenoxy)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]acetamide
CID 9144508
2-(2-chlorophenoxy)-N-[(1S)-2-(dimethylamino)-1-phenylethyl]acetamide
CID 8936701
4-chloro-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]benzamide
CID 9148310
2-(2-chlorophenoxy)-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]acetamide
CID 7315056
2-(2-chlorophenoxy)-N-(1-phenylethyl)acetamide
CID 2787215
2-(2-chlorophenoxy)-N-(2-morpholin-4-yl-2-phenylethyl)acetamide
CID 45155134
N-[2-[[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 9149121
2-(4-methoxyphenyl)sulfanyl-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide
CID 9150013
2-(2,5-dichlorophenoxy)-N-(2-hydroxy-1-phenylethyl)acetamide
CID 110931209

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide (CID 9148972) is 2-(2-chlorophenoxy)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide is O=C(COc1ccccc1Cl)N[C@@H](C[NH+]1CCOCC1)c1ccccc1.
What is the InChIKey of 2-(2-chlorophenoxy)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide?
The InChIKey is UMIQCNLHQPAVFH-SFHVURJKSA-O. The full InChI is InChI=1S/C20H23ClN2O3/c21-17-8-4-5-9-19(17)26-15-20(24)22-18(16-6-2-1-3-7-16)14-23-10-12-25-13-11-23/h1-9,18H,10-15H2,(H,22,24)/p+1/t18-/m0/s1.
What are the key properties of 2-(2-chlorophenoxy)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide?
2-(2-chlorophenoxy)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide has a molecular weight of 375.88 g/mol, XLogP of 1.49, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide is sourced from PubChem (CID 9148972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).