2-(2,6-dimethylphenoxy)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide

C23H30N2O3 — CID 9144717

IUPAC2-(2,6-dimethylphenoxy)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide
SMILESCc1ccc([C@@H](CN2CCOCC2)NC(=O)COc2c(C)cccc2C)cc1
InChIInChI=1S/C23H30N2O3/c1-17-7-9-20(10-8-17)21(15-25-11-13-27-14-12-25)24-22(26)16-28-23-18(2)5-4-6-19(23)3/h4-10,21H,11-16H2,1-3H3,(H,24,26)/t21-/m1/s1
InChIKeyHPCWOSBNVNFNLG-OAQYLSRUSA-N
MW382.50 g/mol
LogP3.18
Rot. Bonds7

About 2-(2,6-dimethylphenoxy)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide

2-(2,6-dimethylphenoxy)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide (PubChem CID 9144717) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is 2-(2,6-dimethylphenoxy)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide.

Molecular Properties

Compound Name2-(2,6-dimethylphenoxy)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide
PubChem CID9144717
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name2-(2,6-dimethylphenoxy)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide
SMILESCc1ccc([C@@H](CN2CCOCC2)NC(=O)COc2c(C)cccc2C)cc1
InChIInChI=1S/C23H30N2O3/c1-17-7-9-20(10-8-17)21(15-25-11-13-27-14-12-25)24-22(26)16-28-23-18(2)5-4-6-19(23)3/h4-10,21H,11-16H2,1-3H3,(H,24,26)/t21-/m1/s1
InChIKeyHPCWOSBNVNFNLG-OAQYLSRUSA-N
XLogP3.18
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 53.18
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-(4-methoxyphenoxy)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide
CID 9144531
N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-2-naphthalen-2-yloxyacetamide
CID 9144499
2-(2-chloro-5-methylphenoxy)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide
CID 9144641
2-(3-methylphenoxy)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide
CID 9148983
2-(2,4-dichlorophenoxy)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide
CID 9144310
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
N-[(1S)-2-morpholin-4-yl-1-phenylethyl]-2-(4-phenylphenoxy)acetamide
CID 9149042
N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-2-thiophen-2-ylacetamide
CID 51925350
2-(4-chloro-2-methylphenoxy)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide
CID 9148647
2-(4-methylphenyl)sulfanyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide
CID 9149582

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenoxy)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide?
The IUPAC name of 2-(2,6-dimethylphenoxy)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide (CID 9144717) is 2-(2,6-dimethylphenoxy)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide.
What is the SMILES notation for 2-(2,6-dimethylphenoxy)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide?
The canonical SMILES for 2-(2,6-dimethylphenoxy)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide is Cc1ccc([C@@H](CN2CCOCC2)NC(=O)COc2c(C)cccc2C)cc1.
What is the InChIKey of 2-(2,6-dimethylphenoxy)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide?
The InChIKey is HPCWOSBNVNFNLG-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-17-7-9-20(10-8-17)21(15-25-11-13-27-14-12-25)24-22(26)16-28-23-18(2)5-4-6-19(23)3/h4-10,21H,11-16H2,1-3H3,(H,24,26)/t21-/m1/s1.
What are the key properties of 2-(2,6-dimethylphenoxy)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide?
2-(2,6-dimethylphenoxy)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide has a molecular weight of 382.50 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenoxy)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide is sourced from PubChem (CID 9144717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).