2-[2-methyl-4-(2,5,5-trimethyl-4-oxohexan-2-yl)oxybutan-2-yl]oxyacetamide

C16H31NO4 — CID 88566213

IUPAC2-[2-methyl-4-(2,5,5-trimethyl-4-oxohexan-2-yl)oxybutan-2-yl]oxyacetamide
SMILESCC(C)(CCOC(C)(C)CC(=O)C(C)(C)C)OCC(N)=O
InChIInChI=1S/C16H31NO4/c1-14(2,3)12(18)10-16(6,7)20-9-8-15(4,5)21-11-13(17)19/h8-11H2,1-7H3,(H2,17,19)
InChIKeyBPXGZQHYDJWHHN-UHFFFAOYSA-N
MW301.43 g/mol
LogP2.46
Rot. Bonds9

About 2-[2-methyl-4-(2,5,5-trimethyl-4-oxohexan-2-yl)oxybutan-2-yl]oxyacetamide

2-[2-methyl-4-(2,5,5-trimethyl-4-oxohexan-2-yl)oxybutan-2-yl]oxyacetamide (PubChem CID 88566213) has the molecular formula C16H31NO4 and a molecular weight of 301.43 g/mol. Its IUPAC name is 2-[2-methyl-4-(2,5,5-trimethyl-4-oxohexan-2-yl)oxybutan-2-yl]oxyacetamide.

Molecular Properties

Compound Name2-[2-methyl-4-(2,5,5-trimethyl-4-oxohexan-2-yl)oxybutan-2-yl]oxyacetamide
PubChem CID88566213
Molecular FormulaC16H31NO4
Molecular Weight301.43 g/mol
Exact Mass301.23
IUPAC Name2-[2-methyl-4-(2,5,5-trimethyl-4-oxohexan-2-yl)oxybutan-2-yl]oxyacetamide
SMILESCC(C)(CCOC(C)(C)CC(=O)C(C)(C)C)OCC(N)=O
InChIInChI=1S/C16H31NO4/c1-14(2,3)12(18)10-16(6,7)20-9-8-15(4,5)21-11-13(17)19/h8-11H2,1-7H3,(H2,17,19)
InChIKeyBPXGZQHYDJWHHN-UHFFFAOYSA-N
XLogP2.46
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-ethyl-2,4-dimethylhexan-2-yl)oxy-2-methylbutan-2-yl]oxyacetamide
CID 135208298
2,5-dimethyl-5-[3-methyl-3-(2-oxopropoxy)butoxy]hexan-3-one
CID 170001080
3-[3-(2-hydroxyethoxy)-3-methylbutoxy]-3-methylbutanoic acid
CID 166655528
4-(2-hydroxyethoxy)-4-methylpentanamide
CID 167307614
4-(3,3-dimethylpentoxy)-4-methylpentanamide;ethane
CID 156884875
2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxyethyl 2-aminoprop-2-enoate
CID 163636275
4-(4-azido-2-methylbutan-2-yl)oxy-2,2-dimethylbutanamide
CID 166871024
N-[4-(4-amino-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]acetamide
CID 144960921
4-[3-(3-aminopropoxy)-3-methylbutoxy]-4-methyl-N-[2-[2-methyl-4-[2-methyl-5-[2-[2-methyl-4-(2,6,6-trimethyl-5-oxoheptan-2-yl)oxybutan-2-yl]oxyethylamino]-5-oxopentan-2-yl]oxybutan-2-yl]oxyethyl]pentanamide
CID 138710128
[5-(2-aminoethoxy)-2,5-dimethylhexan-2-yl]carbamic acid
CID 175166936
2-[3-(3-hydroxy-3-methylbutoxy)-3-methylbutyl]propanediamide
CID 130456654
4-[3-(2-methoxyethoxy)-3-methylbutoxy]-4-methylpentanoic acid
CID 142009252

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-4-(2,5,5-trimethyl-4-oxohexan-2-yl)oxybutan-2-yl]oxyacetamide?
The IUPAC name of 2-[2-methyl-4-(2,5,5-trimethyl-4-oxohexan-2-yl)oxybutan-2-yl]oxyacetamide (CID 88566213) is 2-[2-methyl-4-(2,5,5-trimethyl-4-oxohexan-2-yl)oxybutan-2-yl]oxyacetamide.
What is the SMILES notation for 2-[2-methyl-4-(2,5,5-trimethyl-4-oxohexan-2-yl)oxybutan-2-yl]oxyacetamide?
The canonical SMILES for 2-[2-methyl-4-(2,5,5-trimethyl-4-oxohexan-2-yl)oxybutan-2-yl]oxyacetamide is CC(C)(CCOC(C)(C)CC(=O)C(C)(C)C)OCC(N)=O.
What is the InChIKey of 2-[2-methyl-4-(2,5,5-trimethyl-4-oxohexan-2-yl)oxybutan-2-yl]oxyacetamide?
The InChIKey is BPXGZQHYDJWHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO4/c1-14(2,3)12(18)10-16(6,7)20-9-8-15(4,5)21-11-13(17)19/h8-11H2,1-7H3,(H2,17,19).
What are the key properties of 2-[2-methyl-4-(2,5,5-trimethyl-4-oxohexan-2-yl)oxybutan-2-yl]oxyacetamide?
2-[2-methyl-4-(2,5,5-trimethyl-4-oxohexan-2-yl)oxybutan-2-yl]oxyacetamide has a molecular weight of 301.43 g/mol, XLogP of 2.46, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-4-(2,5,5-trimethyl-4-oxohexan-2-yl)oxybutan-2-yl]oxyacetamide is sourced from PubChem (CID 88566213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).