N-[2-(dimethylamino)ethyl]-2-[2-[(3-ethyl-2-hydroxyphenyl)methyl]-6-methylphenoxy]acetamide

C22H30N2O3 — CID 59859568

IUPACN-[2-(dimethylamino)ethyl]-2-[2-[(3-ethyl-2-hydroxyphenyl)methyl]-6-methylphenoxy]acetamide
SMILESCCc1cccc(Cc2cccc(C)c2OCC(=O)NCCN(C)C)c1O
InChIInChI=1S/C22H30N2O3/c1-5-17-9-7-10-18(21(17)26)14-19-11-6-8-16(2)22(19)27-15-20(25)23-12-13-24(3)4/h6-11,26H,5,12-15H2,1-4H3,(H,23,25)
InChIKeyDOKAQACTTXTUEZ-UHFFFAOYSA-N
MW370.49 g/mol
LogP2.91
Rot. Bonds9

About N-[2-(dimethylamino)ethyl]-2-[2-[(3-ethyl-2-hydroxyphenyl)methyl]-6-methylphenoxy]acetamide

N-[2-(dimethylamino)ethyl]-2-[2-[(3-ethyl-2-hydroxyphenyl)methyl]-6-methylphenoxy]acetamide (PubChem CID 59859568) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-[2-[(3-ethyl-2-hydroxyphenyl)methyl]-6-methylphenoxy]acetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-[2-[(3-ethyl-2-hydroxyphenyl)methyl]-6-methylphenoxy]acetamide
PubChem CID59859568
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC NameN-[2-(dimethylamino)ethyl]-2-[2-[(3-ethyl-2-hydroxyphenyl)methyl]-6-methylphenoxy]acetamide
SMILESCCc1cccc(Cc2cccc(C)c2OCC(=O)NCCN(C)C)c1O
InChIInChI=1S/C22H30N2O3/c1-5-17-9-7-10-18(21(17)26)14-19-11-6-8-16(2)22(19)27-15-20(25)23-12-13-24(3)4/h6-11,26H,5,12-15H2,1-4H3,(H,23,25)
InChIKeyDOKAQACTTXTUEZ-UHFFFAOYSA-N
XLogP2.91
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(dimethylamino)ethyl]-3-[[2-(2,6-dimethylphenoxy)acetyl]amino]thiourea
CID 8768001
2-[[2-[2-[2-(dimethylamino)ethylamino]-2-methoxypropoxy]-3-ethylphenyl]methyl]-6-methylphenol
CID 90143987
N-[2-(dimethylamino)ethyl]-2-[2-[[2-[2-[2-(dimethylamino)ethylamino]-2-oxoethoxy]-3-ethyl-5-(2-methylpropyl)phenyl]methyl]-6-methyl-4-propylphenoxy]acetamide
CID 59859606
2-(2,6-dimethylphenoxy)-N-[6-[[2-(2,6-dimethylphenoxy)acetyl]amino]hexyl]acetamide
CID 3463804
N-[2-(dimethylamino)ethyl]-2-(3,4-dimethylphenoxy)acetamide
CID 19165327
2-(2,3-dimethoxyphenoxy)-N-[2-(dimethylamino)ethyl]acetamide
CID 112978344
N-(3-acetamidopropyl)-2-(2,6-dimethylphenoxy)acetamide
CID 38448955
2-(2,6-diethylanilino)-N-[2-(dimethylamino)ethyl]acetamide
CID 108994657
N-ethyl-2-[2-methyl-6-[(propan-2-ylamino)methyl]phenoxy]acetamide
CID 112610064
2-[2-methyl-6-(methylaminomethyl)phenoxy]-N-prop-2-ynylacetamide
CID 112608234
2-[2-(2-aminoethyl)-6-methylphenoxy]-N-(cyanomethyl)acetamide
CID 112614713
N-(4-aminobutyl)-2-(2,6-dimethylphenoxy)acetamide
CID 82335715

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-[2-[(3-ethyl-2-hydroxyphenyl)methyl]-6-methylphenoxy]acetamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-[2-[(3-ethyl-2-hydroxyphenyl)methyl]-6-methylphenoxy]acetamide (CID 59859568) is N-[2-(dimethylamino)ethyl]-2-[2-[(3-ethyl-2-hydroxyphenyl)methyl]-6-methylphenoxy]acetamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-[2-[(3-ethyl-2-hydroxyphenyl)methyl]-6-methylphenoxy]acetamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-[2-[(3-ethyl-2-hydroxyphenyl)methyl]-6-methylphenoxy]acetamide is CCc1cccc(Cc2cccc(C)c2OCC(=O)NCCN(C)C)c1O.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-[2-[(3-ethyl-2-hydroxyphenyl)methyl]-6-methylphenoxy]acetamide?
The InChIKey is DOKAQACTTXTUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3/c1-5-17-9-7-10-18(21(17)26)14-19-11-6-8-16(2)22(19)27-15-20(25)23-12-13-24(3)4/h6-11,26H,5,12-15H2,1-4H3,(H,23,25).
What are the key properties of N-[2-(dimethylamino)ethyl]-2-[2-[(3-ethyl-2-hydroxyphenyl)methyl]-6-methylphenoxy]acetamide?
N-[2-(dimethylamino)ethyl]-2-[2-[(3-ethyl-2-hydroxyphenyl)methyl]-6-methylphenoxy]acetamide has a molecular weight of 370.49 g/mol, XLogP of 2.91, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-[2-[(3-ethyl-2-hydroxyphenyl)methyl]-6-methylphenoxy]acetamide is sourced from PubChem (CID 59859568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).