3-(4-methoxyphenyl)-N-[2-oxo-2-[(2S)-2-phenylmorpholin-4-yl]ethyl]propanamide

C22H26N2O4 — CID 27375928

IUPAC3-(4-methoxyphenyl)-N-[2-oxo-2-[(2S)-2-phenylmorpholin-4-yl]ethyl]propanamide
SMILESCOc1ccc(CCC(=O)NCC(=O)N2CCO[C@@H](c3ccccc3)C2)cc1
InChIInChI=1S/C22H26N2O4/c1-27-19-10-7-17(8-11-19)9-12-21(25)23-15-22(26)24-13-14-28-20(16-24)18-5-3-2-4-6-18/h2-8,10-11,20H,9,12-16H2,1H3,(H,23,25)/t20-/m1/s1
InChIKeyKAIQCFOFVQTIEP-HXUWFJFHSA-N
MW382.46 g/mol
LogP2.34
Rot. Bonds7

About 3-(4-methoxyphenyl)-N-[2-oxo-2-[(2S)-2-phenylmorpholin-4-yl]ethyl]propanamide

3-(4-methoxyphenyl)-N-[2-oxo-2-[(2S)-2-phenylmorpholin-4-yl]ethyl]propanamide (PubChem CID 27375928) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-[2-oxo-2-[(2S)-2-phenylmorpholin-4-yl]ethyl]propanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-[2-oxo-2-[(2S)-2-phenylmorpholin-4-yl]ethyl]propanamide
PubChem CID27375928
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name3-(4-methoxyphenyl)-N-[2-oxo-2-[(2S)-2-phenylmorpholin-4-yl]ethyl]propanamide
SMILESCOc1ccc(CCC(=O)NCC(=O)N2CCO[C@@H](c3ccccc3)C2)cc1
InChIInChI=1S/C22H26N2O4/c1-27-19-10-7-17(8-11-19)9-12-21(25)23-15-22(26)24-13-14-28-20(16-24)18-5-3-2-4-6-18/h2-8,10-11,20H,9,12-16H2,1H3,(H,23,25)/t20-/m1/s1
InChIKeyKAIQCFOFVQTIEP-HXUWFJFHSA-N
XLogP2.34
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-oxo-2-[(2S)-2-phenylmorpholin-4-yl]ethyl]-3-phenylpropanamide
CID 30851130
N'-(4-methoxyphenyl)-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]oxamide
CID 16894925
N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]-3-phenylpropanamide
CID 16894872
2-(4-chlorophenoxy)-N-[2-oxo-2-[(2S)-2-phenylmorpholin-4-yl]ethyl]acetamide
CID 27375916
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-(3-methylphenoxy)-N-[2-oxo-2-[(2S)-2-phenylmorpholin-4-yl]ethyl]acetamide
CID 30851152
1-(4-methoxyphenyl)-5-(2-phenylmorpholin-4-yl)pentane-1,5-dione
CID 110308920
4-ethyl-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzamide
CID 16894751
methyl N-[2-[(2R)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-2-oxoethyl]carbamate
CID 95463844
(5S)-3-[(4-methoxyphenyl)methyl]-5-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]imidazolidine-2,4-dione
CID 91640441
2-(4-methoxyphenyl)-1-[2-(4-propan-2-ylphenyl)morpholin-4-yl]ethanone
CID 110364120

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-[2-oxo-2-[(2S)-2-phenylmorpholin-4-yl]ethyl]propanamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-[2-oxo-2-[(2S)-2-phenylmorpholin-4-yl]ethyl]propanamide (CID 27375928) is 3-(4-methoxyphenyl)-N-[2-oxo-2-[(2S)-2-phenylmorpholin-4-yl]ethyl]propanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-[2-oxo-2-[(2S)-2-phenylmorpholin-4-yl]ethyl]propanamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-[2-oxo-2-[(2S)-2-phenylmorpholin-4-yl]ethyl]propanamide is COc1ccc(CCC(=O)NCC(=O)N2CCO[C@@H](c3ccccc3)C2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-[2-oxo-2-[(2S)-2-phenylmorpholin-4-yl]ethyl]propanamide?
The InChIKey is KAIQCFOFVQTIEP-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-27-19-10-7-17(8-11-19)9-12-21(25)23-15-22(26)24-13-14-28-20(16-24)18-5-3-2-4-6-18/h2-8,10-11,20H,9,12-16H2,1H3,(H,23,25)/t20-/m1/s1.
What are the key properties of 3-(4-methoxyphenyl)-N-[2-oxo-2-[(2S)-2-phenylmorpholin-4-yl]ethyl]propanamide?
3-(4-methoxyphenyl)-N-[2-oxo-2-[(2S)-2-phenylmorpholin-4-yl]ethyl]propanamide has a molecular weight of 382.46 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-[2-oxo-2-[(2S)-2-phenylmorpholin-4-yl]ethyl]propanamide is sourced from PubChem (CID 27375928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).