2-(2,6-dimethylphenoxy)-N-[6-[[2-(2,6-dimethylphenoxy)acetyl]amino]hexyl]acetamide

C26H36N2O4 — CID 3463804

IUPAC2-(2,6-dimethylphenoxy)-N-[6-[[2-(2,6-dimethylphenoxy)acetyl]amino]hexyl]acetamide
SMILESCc1cccc(C)c1OCC(=O)NCCCCCCNC(=O)COc1c(C)cccc1C
InChIInChI=1S/C26H36N2O4/c1-19-11-9-12-20(2)25(19)31-17-23(29)27-15-7-5-6-8-16-28-24(30)18-32-26-21(3)13-10-14-22(26)4/h9-14H,5-8,15-18H2,1-4H3,(H,27,29)(H,28,30)
InChIKeyAWFBJUFMFHEOAU-UHFFFAOYSA-N
MW440.58 g/mol
LogP4.17
Rot. Bonds13

About 2-(2,6-dimethylphenoxy)-N-[6-[[2-(2,6-dimethylphenoxy)acetyl]amino]hexyl]acetamide

2-(2,6-dimethylphenoxy)-N-[6-[[2-(2,6-dimethylphenoxy)acetyl]amino]hexyl]acetamide (PubChem CID 3463804) has the molecular formula C26H36N2O4 and a molecular weight of 440.58 g/mol. Its IUPAC name is 2-(2,6-dimethylphenoxy)-N-[6-[[2-(2,6-dimethylphenoxy)acetyl]amino]hexyl]acetamide.

Molecular Properties

Compound Name2-(2,6-dimethylphenoxy)-N-[6-[[2-(2,6-dimethylphenoxy)acetyl]amino]hexyl]acetamide
PubChem CID3463804
Molecular FormulaC26H36N2O4
Molecular Weight440.58 g/mol
Exact Mass440.27
IUPAC Name2-(2,6-dimethylphenoxy)-N-[6-[[2-(2,6-dimethylphenoxy)acetyl]amino]hexyl]acetamide
SMILESCc1cccc(C)c1OCC(=O)NCCCCCCNC(=O)COc1c(C)cccc1C
InChIInChI=1S/C26H36N2O4/c1-19-11-9-12-20(2)25(19)31-17-23(29)27-15-7-5-6-8-16-28-24(30)18-32-26-21(3)13-10-14-22(26)4/h9-14H,5-8,15-18H2,1-4H3,(H,27,29)(H,28,30)
InChIKeyAWFBJUFMFHEOAU-UHFFFAOYSA-N
XLogP4.17
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.58
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-aminobutyl)-2-(2,6-dimethylphenoxy)acetamide
CID 82335715
N-(3-acetamidopropyl)-2-(2,6-dimethylphenoxy)acetamide
CID 38448955
2-(2,6-dimethylphenoxy)-N-[1,1,2,2-tetradeuterio-2-[[2-(2,6-dimethylphenoxy)acetyl]amino]ethyl]acetamide
CID 171381792
2-(2,6-dimethylphenoxy)-N-[2-(3-hydroxypropylsulfanyl)ethyl]acetamide
CID 103767552
2-(2,6-dimethylphenoxy)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide
CID 64547070
2-(2,6-dimethylphenoxy)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide
CID 115699812
3-(2,6-dimethylphenoxy)-N-(4-hydroxybutyl)propanamide
CID 106843337
2-(2,6-dimethylphenoxy)-N-(2-thiophen-2-ylethyl)acetamide
CID 27770102
2-(2,6-dimethylphenoxy)-N-(2-pyridin-2-ylethyl)acetamide
CID 29292137
2-[2-(3-methoxypropylamino)-2-oxoethoxy]-3-methylbenzoic acid
CID 60910671
2-(2,6-dimethylphenoxy)-N'-methylacetohydrazide
CID 116820679
2-(2,6-dimethylphenoxy)-N-(2-naphthalen-1-yloxyethyl)acetamide
CID 19174649

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenoxy)-N-[6-[[2-(2,6-dimethylphenoxy)acetyl]amino]hexyl]acetamide?
The IUPAC name of 2-(2,6-dimethylphenoxy)-N-[6-[[2-(2,6-dimethylphenoxy)acetyl]amino]hexyl]acetamide (CID 3463804) is 2-(2,6-dimethylphenoxy)-N-[6-[[2-(2,6-dimethylphenoxy)acetyl]amino]hexyl]acetamide.
What is the SMILES notation for 2-(2,6-dimethylphenoxy)-N-[6-[[2-(2,6-dimethylphenoxy)acetyl]amino]hexyl]acetamide?
The canonical SMILES for 2-(2,6-dimethylphenoxy)-N-[6-[[2-(2,6-dimethylphenoxy)acetyl]amino]hexyl]acetamide is Cc1cccc(C)c1OCC(=O)NCCCCCCNC(=O)COc1c(C)cccc1C.
What is the InChIKey of 2-(2,6-dimethylphenoxy)-N-[6-[[2-(2,6-dimethylphenoxy)acetyl]amino]hexyl]acetamide?
The InChIKey is AWFBJUFMFHEOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O4/c1-19-11-9-12-20(2)25(19)31-17-23(29)27-15-7-5-6-8-16-28-24(30)18-32-26-21(3)13-10-14-22(26)4/h9-14H,5-8,15-18H2,1-4H3,(H,27,29)(H,28,30).
What are the key properties of 2-(2,6-dimethylphenoxy)-N-[6-[[2-(2,6-dimethylphenoxy)acetyl]amino]hexyl]acetamide?
2-(2,6-dimethylphenoxy)-N-[6-[[2-(2,6-dimethylphenoxy)acetyl]amino]hexyl]acetamide has a molecular weight of 440.58 g/mol, XLogP of 4.17, 13 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-[6-[[2-(2,6-dimethylphenoxy)acetyl]amino]hexyl]acetamide is sourced from PubChem (CID 3463804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).