2-(4-chloro-3,5-dimethylphenoxy)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]acetamide

C21H27ClN2O3 — CID 43843181

IUPAC2-(4-chloro-3,5-dimethylphenoxy)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccccc1C(CNC(=O)COc1cc(C)c(Cl)c(C)c1)N(C)C
InChIInChI=1S/C21H27ClN2O3/c1-14-10-16(11-15(2)21(14)22)27-13-20(25)23-12-18(24(3)4)17-8-6-7-9-19(17)26-5/h6-11,18H,12-13H2,1-5H3,(H,23,25)
InChIKeyMCADGRRTDDTVKF-UHFFFAOYSA-N
MW390.91 g/mol
LogP3.76
Rot. Bonds8

About 2-(4-chloro-3,5-dimethylphenoxy)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]acetamide

2-(4-chloro-3,5-dimethylphenoxy)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]acetamide (PubChem CID 43843181) has the molecular formula C21H27ClN2O3 and a molecular weight of 390.91 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylphenoxy)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylphenoxy)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]acetamide
PubChem CID43843181
Molecular FormulaC21H27ClN2O3
Molecular Weight390.91 g/mol
Exact Mass390.17
IUPAC Name2-(4-chloro-3,5-dimethylphenoxy)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccccc1C(CNC(=O)COc1cc(C)c(Cl)c(C)c1)N(C)C
InChIInChI=1S/C21H27ClN2O3/c1-14-10-16(11-15(2)21(14)22)27-13-20(25)23-12-18(24(3)4)17-8-6-7-9-19(17)26-5/h6-11,18H,12-13H2,1-5H3,(H,23,25)
InChIKeyMCADGRRTDDTVKF-UHFFFAOYSA-N
XLogP3.76
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.91
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenoxy)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]acetamide
CID 43842984
N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-(3-methylphenoxy)acetamide
CID 30521125
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 43006220
N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-(2,6-dimethylphenoxy)acetamide
CID 30521032
N-[2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]ethyl]-2-(2-methoxyphenoxy)acetamide
CID 108541249
2-(4-acetyl-2-methoxyphenoxy)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]acetamide
CID 42906840
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 55628559
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 55787131
N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-(4-propanoylphenoxy)acetamide
CID 9220223
2-(4-chloro-3,5-dimethylphenoxy)-N-(2-phenylpropyl)acetamide
CID 133164501
2-(4-chloro-3,5-dimethylphenoxy)-N-(2-methoxyphenyl)acetamide
CID 776798
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-4-(2-methylphenoxy)butanamide
CID 55538099

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]acetamide (CID 43843181) is 2-(4-chloro-3,5-dimethylphenoxy)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylphenoxy)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(4-chloro-3,5-dimethylphenoxy)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]acetamide is COc1ccccc1C(CNC(=O)COc1cc(C)c(Cl)c(C)c1)N(C)C.
What is the InChIKey of 2-(4-chloro-3,5-dimethylphenoxy)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]acetamide?
The InChIKey is MCADGRRTDDTVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN2O3/c1-14-10-16(11-15(2)21(14)22)27-13-20(25)23-12-18(24(3)4)17-8-6-7-9-19(17)26-5/h6-11,18H,12-13H2,1-5H3,(H,23,25).
What are the key properties of 2-(4-chloro-3,5-dimethylphenoxy)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]acetamide?
2-(4-chloro-3,5-dimethylphenoxy)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]acetamide has a molecular weight of 390.91 g/mol, XLogP of 3.76, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3,5-dimethylphenoxy)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 43843181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).