2-[4-(4-ethyl-2,4-dimethylhexan-2-yl)oxy-2-methylbutan-2-yl]oxyacetamide

C17H35NO3 — CID 135208298

IUPAC2-[4-(4-ethyl-2,4-dimethylhexan-2-yl)oxy-2-methylbutan-2-yl]oxyacetamide
SMILESCCC(C)(CC)CC(C)(C)OCCC(C)(C)OCC(N)=O
InChIInChI=1S/C17H35NO3/c1-8-17(7,9-2)13-16(5,6)20-11-10-15(3,4)21-12-14(18)19/h8-13H2,1-7H3,(H2,18,19)
InChIKeyQOYDQUCQDWKUHF-UHFFFAOYSA-N
MW301.47 g/mol
LogP3.67
Rot. Bonds11

About 2-[4-(4-ethyl-2,4-dimethylhexan-2-yl)oxy-2-methylbutan-2-yl]oxyacetamide

2-[4-(4-ethyl-2,4-dimethylhexan-2-yl)oxy-2-methylbutan-2-yl]oxyacetamide (PubChem CID 135208298) has the molecular formula C17H35NO3 and a molecular weight of 301.47 g/mol. Its IUPAC name is 2-[4-(4-ethyl-2,4-dimethylhexan-2-yl)oxy-2-methylbutan-2-yl]oxyacetamide.

Molecular Properties

Compound Name2-[4-(4-ethyl-2,4-dimethylhexan-2-yl)oxy-2-methylbutan-2-yl]oxyacetamide
PubChem CID135208298
Molecular FormulaC17H35NO3
Molecular Weight301.47 g/mol
Exact Mass301.26
IUPAC Name2-[4-(4-ethyl-2,4-dimethylhexan-2-yl)oxy-2-methylbutan-2-yl]oxyacetamide
SMILESCCC(C)(CC)CC(C)(C)OCCC(C)(C)OCC(N)=O
InChIInChI=1S/C17H35NO3/c1-8-17(7,9-2)13-16(5,6)20-11-10-15(3,4)21-12-14(18)19/h8-13H2,1-7H3,(H2,18,19)
InChIKeyQOYDQUCQDWKUHF-UHFFFAOYSA-N
XLogP3.67
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.47
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-methyl-4-(2,5,5-trimethyl-4-oxohexan-2-yl)oxybutan-2-yl]oxyacetamide
CID 88566213
4-(3,3-dimethylpentoxy)-4-methylpentanamide;ethane
CID 156884875
4-(2-hydroxyethoxy)-4-methylpentanamide
CID 167307614
4-(2,4,4-trimethylpentan-2-yloxy)butanamide
CID 138571120
2-[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]oxyethylcarbamic acid
CID 123941511
[3-(3-hydroxy-3-methylpentoxy)-3-methylbutyl] 3-methylpentan-3-yl carbonate
CID 130220570
1-[4-[1-(methoxyamino)-3-methylpentan-3-yl]oxy-2-methylbutan-2-yl]oxybutan-2-one
CID 170278209
propanamide;2,2,4-trimethyl-4-(3-methylbutoxy)pentane
CID 167513215
2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxyethyl 2-aminoprop-2-enoate
CID 163636275
N-[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]acetamide
CID 88555245
4-(3-methyl-3-propoxybutoxy)pentanamide
CID 164574576
2,5-dimethyl-5-[3-methyl-3-(2-oxopropoxy)butoxy]hexan-3-one
CID 170001080

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-ethyl-2,4-dimethylhexan-2-yl)oxy-2-methylbutan-2-yl]oxyacetamide?
The IUPAC name of 2-[4-(4-ethyl-2,4-dimethylhexan-2-yl)oxy-2-methylbutan-2-yl]oxyacetamide (CID 135208298) is 2-[4-(4-ethyl-2,4-dimethylhexan-2-yl)oxy-2-methylbutan-2-yl]oxyacetamide.
What is the SMILES notation for 2-[4-(4-ethyl-2,4-dimethylhexan-2-yl)oxy-2-methylbutan-2-yl]oxyacetamide?
The canonical SMILES for 2-[4-(4-ethyl-2,4-dimethylhexan-2-yl)oxy-2-methylbutan-2-yl]oxyacetamide is CCC(C)(CC)CC(C)(C)OCCC(C)(C)OCC(N)=O.
What is the InChIKey of 2-[4-(4-ethyl-2,4-dimethylhexan-2-yl)oxy-2-methylbutan-2-yl]oxyacetamide?
The InChIKey is QOYDQUCQDWKUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO3/c1-8-17(7,9-2)13-16(5,6)20-11-10-15(3,4)21-12-14(18)19/h8-13H2,1-7H3,(H2,18,19).
What are the key properties of 2-[4-(4-ethyl-2,4-dimethylhexan-2-yl)oxy-2-methylbutan-2-yl]oxyacetamide?
2-[4-(4-ethyl-2,4-dimethylhexan-2-yl)oxy-2-methylbutan-2-yl]oxyacetamide has a molecular weight of 301.47 g/mol, XLogP of 3.67, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-ethyl-2,4-dimethylhexan-2-yl)oxy-2-methylbutan-2-yl]oxyacetamide is sourced from PubChem (CID 135208298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).