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

C21H25ClN2O3 — CID 9148647

IUPAC2-(4-chloro-2-methylphenoxy)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide
SMILESCc1cc(Cl)ccc1OCC(=O)N[C@H](CN1CCOCC1)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)/t19-/m1/s1
InChIKeyCYORTHJBZCRZTJ-LJQANCHMSA-N
MW388.90 g/mol
LogP3.22
Rot. Bonds7

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

2-(4-chloro-2-methylphenoxy)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide (PubChem CID 9148647) has the molecular formula C21H25ClN2O3 and a molecular weight of 388.90 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide
PubChem CID9148647
Molecular FormulaC21H25ClN2O3
Molecular Weight388.90 g/mol
Exact Mass388.16
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide
SMILESCc1cc(Cl)ccc1OCC(=O)N[C@H](CN1CCOCC1)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)/t19-/m1/s1
InChIKeyCYORTHJBZCRZTJ-LJQANCHMSA-N
XLogP3.22
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dichlorophenoxy)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide
CID 9144310
2-(4-chloro-2-methylphenoxy)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide
CID 9148638
2-(2-methoxyphenoxy)-N-(2-morpholin-4-yl-1-phenylethyl)acetamide
CID 18103834
2-(3,4-dimethylphenoxy)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide
CID 9148831
2-(3-methylphenoxy)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide
CID 9148983
2-(2-chloro-5-methylphenoxy)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide
CID 9144641
2-(2-cyanophenoxy)-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]acetamide
CID 9148844
N-[(1S)-2-morpholin-4-yl-1-phenylethyl]-2-(4-phenylphenoxy)acetamide
CID 9149042
[(1S)-2-morpholin-4-yl-1-phenylethyl]carbamic acid
CID 68931667
2-(3,4-dimethylphenyl)sulfanyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide
CID 9149593
2-(2,6-dimethylphenoxy)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide
CID 9144717
N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-2-naphthalen-2-yloxyacetamide
CID 9144499

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide (CID 9148647) is 2-(4-chloro-2-methylphenoxy)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide is Cc1cc(Cl)ccc1OCC(=O)N[C@H](CN1CCOCC1)c1ccccc1.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide?
The InChIKey is CYORTHJBZCRZTJ-LJQANCHMSA-N. 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)/t19-/m1/s1.
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide?
2-(4-chloro-2-methylphenoxy)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide has a molecular weight of 388.90 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide is sourced from PubChem (CID 9148647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).