2-(3-methylphenoxy)-N-[2-oxo-2-[(2S)-2-phenylmorpholin-4-yl]ethyl]acetamide

C21H24N2O4 — CID 30851152

IUPAC2-(3-methylphenoxy)-N-[2-oxo-2-[(2S)-2-phenylmorpholin-4-yl]ethyl]acetamide
SMILESCc1cccc(OCC(=O)NCC(=O)N2CCO[C@@H](c3ccccc3)C2)c1
InChIInChI=1S/C21H24N2O4/c1-16-6-5-9-18(12-16)27-15-20(24)22-13-21(25)23-10-11-26-19(14-23)17-7-3-2-4-8-17/h2-9,12,19H,10-11,13-15H2,1H3,(H,22,24)/t19-/m1/s1
InChIKeyXFPSDDWWGUOBHX-LJQANCHMSA-N
MW368.43 g/mol
LogP2.09
Rot. Bonds6

About 2-(3-methylphenoxy)-N-[2-oxo-2-[(2S)-2-phenylmorpholin-4-yl]ethyl]acetamide

2-(3-methylphenoxy)-N-[2-oxo-2-[(2S)-2-phenylmorpholin-4-yl]ethyl]acetamide (PubChem CID 30851152) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 2-(3-methylphenoxy)-N-[2-oxo-2-[(2S)-2-phenylmorpholin-4-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(3-methylphenoxy)-N-[2-oxo-2-[(2S)-2-phenylmorpholin-4-yl]ethyl]acetamide
PubChem CID30851152
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name2-(3-methylphenoxy)-N-[2-oxo-2-[(2S)-2-phenylmorpholin-4-yl]ethyl]acetamide
SMILESCc1cccc(OCC(=O)NCC(=O)N2CCO[C@@H](c3ccccc3)C2)c1
InChIInChI=1S/C21H24N2O4/c1-16-6-5-9-18(12-16)27-15-20(24)22-13-21(25)23-10-11-26-19(14-23)17-7-3-2-4-8-17/h2-9,12,19H,10-11,13-15H2,1H3,(H,22,24)/t19-/m1/s1
InChIKeyXFPSDDWWGUOBHX-LJQANCHMSA-N
XLogP2.09
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenoxy)-N-[2-oxo-2-[(2S)-2-phenylmorpholin-4-yl]ethyl]acetamide
CID 27375916
2-(4-methylphenoxy)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]acetamide
CID 16894912
N-[2-oxo-2-[(2S)-2-phenylmorpholin-4-yl]ethyl]-3-phenylpropanamide
CID 30851130
3-(4-methoxyphenyl)-N-[2-oxo-2-[(2S)-2-phenylmorpholin-4-yl]ethyl]propanamide
CID 27375928
2-(3-methoxyphenoxy)-1-[2-(4-methylphenyl)morpholin-4-yl]ethanone
CID 121134803
N-(3-methylphenyl)-2-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]sulfanylacetamide
CID 134039965
2-(4-tert-butylphenoxy)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]acetamide
CID 16894896
2-(4-methoxyphenoxy)-1-[(2S)-2-phenylmorpholin-4-yl]ethanone
CID 25281339
2-(4-methoxyphenoxy)-1-[(2R)-2-phenylmorpholin-4-yl]ethanone
CID 25281342
2-(cyclopentylamino)-1-(2-phenylmorpholin-4-yl)ethanone
CID 60963934
2-(3-methoxyphenoxy)-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]acetamide
CID 51866505
2-(2-phenoxyethoxy)-1-[(2S)-2-phenylmorpholin-4-yl]ethanone
CID 97015199

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)-N-[2-oxo-2-[(2S)-2-phenylmorpholin-4-yl]ethyl]acetamide?
The IUPAC name of 2-(3-methylphenoxy)-N-[2-oxo-2-[(2S)-2-phenylmorpholin-4-yl]ethyl]acetamide (CID 30851152) is 2-(3-methylphenoxy)-N-[2-oxo-2-[(2S)-2-phenylmorpholin-4-yl]ethyl]acetamide.
What is the SMILES notation for 2-(3-methylphenoxy)-N-[2-oxo-2-[(2S)-2-phenylmorpholin-4-yl]ethyl]acetamide?
The canonical SMILES for 2-(3-methylphenoxy)-N-[2-oxo-2-[(2S)-2-phenylmorpholin-4-yl]ethyl]acetamide is Cc1cccc(OCC(=O)NCC(=O)N2CCO[C@@H](c3ccccc3)C2)c1.
What is the InChIKey of 2-(3-methylphenoxy)-N-[2-oxo-2-[(2S)-2-phenylmorpholin-4-yl]ethyl]acetamide?
The InChIKey is XFPSDDWWGUOBHX-LJQANCHMSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-16-6-5-9-18(12-16)27-15-20(24)22-13-21(25)23-10-11-26-19(14-23)17-7-3-2-4-8-17/h2-9,12,19H,10-11,13-15H2,1H3,(H,22,24)/t19-/m1/s1.
What are the key properties of 2-(3-methylphenoxy)-N-[2-oxo-2-[(2S)-2-phenylmorpholin-4-yl]ethyl]acetamide?
2-(3-methylphenoxy)-N-[2-oxo-2-[(2S)-2-phenylmorpholin-4-yl]ethyl]acetamide has a molecular weight of 368.43 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)-N-[2-oxo-2-[(2S)-2-phenylmorpholin-4-yl]ethyl]acetamide is sourced from PubChem (CID 30851152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).