2-(3,4-dimethylphenoxy)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide

C22H28N2O3 — CID 9148831

IUPAC2-(3,4-dimethylphenoxy)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide
SMILESCc1ccc(OCC(=O)N[C@H](CN2CCOCC2)c2ccccc2)cc1C
InChIInChI=1S/C22H28N2O3/c1-17-8-9-20(14-18(17)2)27-16-22(25)23-21(19-6-4-3-5-7-19)15-24-10-12-26-13-11-24/h3-9,14,21H,10-13,15-16H2,1-2H3,(H,23,25)/t21-/m1/s1
InChIKeyQTEDRLHESRTFCH-OAQYLSRUSA-N
MW368.48 g/mol
LogP2.87
Rot. Bonds7

About 2-(3,4-dimethylphenoxy)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide

2-(3,4-dimethylphenoxy)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide (PubChem CID 9148831) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenoxy)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide
PubChem CID9148831
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name2-(3,4-dimethylphenoxy)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide
SMILESCc1ccc(OCC(=O)N[C@H](CN2CCOCC2)c2ccccc2)cc1C
InChIInChI=1S/C22H28N2O3/c1-17-8-9-20(14-18(17)2)27-16-22(25)23-21(19-6-4-3-5-7-19)15-24-10-12-26-13-11-24/h3-9,14,21H,10-13,15-16H2,1-2H3,(H,23,25)/t21-/m1/s1
InChIKeyQTEDRLHESRTFCH-OAQYLSRUSA-N
XLogP2.87
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dimethylphenoxy)-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide
CID 24505048
2-(3-methylphenoxy)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide
CID 9148983
N-[(1S)-2-morpholin-4-yl-1-phenylethyl]-2-(4-phenylphenoxy)acetamide
CID 9149042
N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-2-naphthalen-2-yloxyacetamide
CID 9144499
2-(2-methoxyphenoxy)-N-(2-morpholin-4-yl-1-phenylethyl)acetamide
CID 18103834
2-(3,4-dimethylphenyl)sulfanyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide
CID 9149593
2-(4-chloro-2-methylphenoxy)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide
CID 9148647
N-[2-(dimethylamino)-1-phenylethyl]-2-(3,4-dimethylphenoxy)acetamide
CID 24504283
2-(4-methoxyphenoxy)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide
CID 9144531
[(1S)-2-morpholin-4-yl-1-phenylethyl]carbamic acid
CID 68931667
2-(2,6-dimethylphenoxy)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide
CID 9144717
2-(2-cyanophenoxy)-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]acetamide
CID 9148844

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenoxy)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide?
The IUPAC name of 2-(3,4-dimethylphenoxy)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide (CID 9148831) is 2-(3,4-dimethylphenoxy)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethylphenoxy)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide?
The canonical SMILES for 2-(3,4-dimethylphenoxy)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide is Cc1ccc(OCC(=O)N[C@H](CN2CCOCC2)c2ccccc2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenoxy)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide?
The InChIKey is QTEDRLHESRTFCH-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-17-8-9-20(14-18(17)2)27-16-22(25)23-21(19-6-4-3-5-7-19)15-24-10-12-26-13-11-24/h3-9,14,21H,10-13,15-16H2,1-2H3,(H,23,25)/t21-/m1/s1.
What are the key properties of 2-(3,4-dimethylphenoxy)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide?
2-(3,4-dimethylphenoxy)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide has a molecular weight of 368.48 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenoxy)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide is sourced from PubChem (CID 9148831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).