2-(2,6-dimethylphenoxy)-N-[1,1,2,2-tetradeuterio-2-[[2-(2,6-dimethylphenoxy)acetyl]amino]ethyl]acetamide

C22H28N2O4 — CID 171381792

IUPAC2-(2,6-dimethylphenoxy)-N-[1,1,2,2-tetradeuterio-2-[[2-(2,6-dimethylphenoxy)acetyl]amino]ethyl]acetamide
SMILES[2H]C([2H])(NC(=O)COc1c(C)cccc1C)C([2H])([2H])NC(=O)COc1c(C)cccc1C
InChIInChI=1S/C22H28N2O4/c1-15-7-5-8-16(2)21(15)27-13-19(25)23-11-12-24-20(26)14-28-22-17(3)9-6-10-18(22)4/h5-10H,11-14H2,1-4H3,(H,23,25)(H,24,26)/i11D2,12D2
InChIKeyGOACCZVDHZYPTQ-AREBVXNXSA-N
MW388.50 g/mol
LogP2.61
Rot. Bonds9

About 2-(2,6-dimethylphenoxy)-N-[1,1,2,2-tetradeuterio-2-[[2-(2,6-dimethylphenoxy)acetyl]amino]ethyl]acetamide

2-(2,6-dimethylphenoxy)-N-[1,1,2,2-tetradeuterio-2-[[2-(2,6-dimethylphenoxy)acetyl]amino]ethyl]acetamide (PubChem CID 171381792) has the molecular formula C22H28N2O4 and a molecular weight of 388.50 g/mol. Its IUPAC name is 2-(2,6-dimethylphenoxy)-N-[1,1,2,2-tetradeuterio-2-[[2-(2,6-dimethylphenoxy)acetyl]amino]ethyl]acetamide.

Molecular Properties

Compound Name2-(2,6-dimethylphenoxy)-N-[1,1,2,2-tetradeuterio-2-[[2-(2,6-dimethylphenoxy)acetyl]amino]ethyl]acetamide
PubChem CID171381792
Molecular FormulaC22H28N2O4
Molecular Weight388.50 g/mol
Exact Mass388.23
IUPAC Name2-(2,6-dimethylphenoxy)-N-[1,1,2,2-tetradeuterio-2-[[2-(2,6-dimethylphenoxy)acetyl]amino]ethyl]acetamide
SMILES[2H]C([2H])(NC(=O)COc1c(C)cccc1C)C([2H])([2H])NC(=O)COc1c(C)cccc1C
InChIInChI=1S/C22H28N2O4/c1-15-7-5-8-16(2)21(15)27-13-19(25)23-11-12-24-20(26)14-28-22-17(3)9-6-10-18(22)4/h5-10H,11-14H2,1-4H3,(H,23,25)(H,24,26)/i11D2,12D2
InChIKeyGOACCZVDHZYPTQ-AREBVXNXSA-N
XLogP2.61
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.50
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2,6-dimethylphenoxy)-N-[1,1,2,2-tetradeuterio-2-[[2-(2,6-dimethylphenoxy)acetyl]amino]ethyl]acetamide with MolForge

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Related Compounds

2-(2,6-dimethylphenoxy)-N-[6-[[2-(2,6-dimethylphenoxy)acetyl]amino]hexyl]acetamide
CID 3463804
2-(2,6-dimethylphenoxy)-N'-methylacetohydrazide
CID 116820679
N-(3-acetamidopropyl)-2-(2,6-dimethylphenoxy)acetamide
CID 38448955
2-(2,6-dimethylphenoxy)-N-(2-ethylbutyl)acetamide
CID 115612647
N-(4-aminobutyl)-2-(2,6-dimethylphenoxy)acetamide
CID 82335715
2-(2,6-dimethylphenoxy)-N-[(3-methylphenyl)methyl]acetamide
CID 38294910
2-(2,6-dimethylphenoxy)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide
CID 115699812
2-[[2-(2,6-dimethylphenoxy)acetyl]amino]oxyacetamide
CID 112550753
N'-[2-(2,6-dimethylphenoxy)acetyl]-2-phenylacetohydrazide
CID 4503699
(E)-4-[2-[2-(2,6-dimethylphenoxy)acetyl]hydrazinyl]-4-oxobut-2-enoic acid
CID 6131518
2-(2,6-dimethylphenoxy)-N-(2-thiophen-2-ylethyl)acetamide
CID 27770102
N-(2-amino-2-phenylethyl)-2-(2,6-dimethylphenoxy)acetamide
CID 119529545

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenoxy)-N-[1,1,2,2-tetradeuterio-2-[[2-(2,6-dimethylphenoxy)acetyl]amino]ethyl]acetamide?
The IUPAC name of 2-(2,6-dimethylphenoxy)-N-[1,1,2,2-tetradeuterio-2-[[2-(2,6-dimethylphenoxy)acetyl]amino]ethyl]acetamide (CID 171381792) is 2-(2,6-dimethylphenoxy)-N-[1,1,2,2-tetradeuterio-2-[[2-(2,6-dimethylphenoxy)acetyl]amino]ethyl]acetamide.
What is the SMILES notation for 2-(2,6-dimethylphenoxy)-N-[1,1,2,2-tetradeuterio-2-[[2-(2,6-dimethylphenoxy)acetyl]amino]ethyl]acetamide?
The canonical SMILES for 2-(2,6-dimethylphenoxy)-N-[1,1,2,2-tetradeuterio-2-[[2-(2,6-dimethylphenoxy)acetyl]amino]ethyl]acetamide is [2H]C([2H])(NC(=O)COc1c(C)cccc1C)C([2H])([2H])NC(=O)COc1c(C)cccc1C.
What is the InChIKey of 2-(2,6-dimethylphenoxy)-N-[1,1,2,2-tetradeuterio-2-[[2-(2,6-dimethylphenoxy)acetyl]amino]ethyl]acetamide?
The InChIKey is GOACCZVDHZYPTQ-AREBVXNXSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-15-7-5-8-16(2)21(15)27-13-19(25)23-11-12-24-20(26)14-28-22-17(3)9-6-10-18(22)4/h5-10H,11-14H2,1-4H3,(H,23,25)(H,24,26)/i11D2,12D2.
What are the key properties of 2-(2,6-dimethylphenoxy)-N-[1,1,2,2-tetradeuterio-2-[[2-(2,6-dimethylphenoxy)acetyl]amino]ethyl]acetamide?
2-(2,6-dimethylphenoxy)-N-[1,1,2,2-tetradeuterio-2-[[2-(2,6-dimethylphenoxy)acetyl]amino]ethyl]acetamide has a molecular weight of 388.50 g/mol, XLogP of 2.61, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenoxy)-N-[1,1,2,2-tetradeuterio-2-[[2-(2,6-dimethylphenoxy)acetyl]amino]ethyl]acetamide is sourced from PubChem (CID 171381792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).