N-(2,4-dimethylpentan-2-yl)-2-hydroxyacetamide;ethane;1-methoxy-3-methylbutane;3-methylbutan-1-ol;2,2,4-trimethylpentane

C30H69NO4 — CID 142464544

IUPACN-(2,4-dimethylpentan-2-yl)-2-hydroxyacetamide;ethane;1-methoxy-3-methylbutane;3-methylbutan-1-ol;2,2,4-trimethylpentane
SMILESCC.CC(C)CC(C)(C)C.CC(C)CC(C)(C)NC(=O)CO.CC(C)CCO.COCCC(C)C
InChIInChI=1S/C9H19NO2.C8H18.C6H14O.C5H12O.C2H6/c1-7(2)5-9(3,4)10-8(12)6-11;1-7(2)6-8(3,4)5;1-6(2)4-5-7-3;1-5(2)3-4-6;1-2/h7,11H,5-6H2,1-4H3,(H,10,12);7H,6H2,1-5H3;6H,4-5H2,1-3H3;5-6H,3-4H2,1-2H3;1-2H3
InChIKeyDQKQYJDIVYGLBP-UHFFFAOYSA-N
MW507.89 g/mol
LogP7.73
Rot. Bonds10

About N-(2,4-dimethylpentan-2-yl)-2-hydroxyacetamide;ethane;1-methoxy-3-methylbutane;3-methylbutan-1-ol;2,2,4-trimethylpentane

N-(2,4-dimethylpentan-2-yl)-2-hydroxyacetamide;ethane;1-methoxy-3-methylbutane;3-methylbutan-1-ol;2,2,4-trimethylpentane (PubChem CID 142464544) has the molecular formula C30H69NO4 and a molecular weight of 507.89 g/mol. Its IUPAC name is N-(2,4-dimethylpentan-2-yl)-2-hydroxyacetamide;ethane;1-methoxy-3-methylbutane;3-methylbutan-1-ol;2,2,4-trimethylpentane.

Molecular Properties

Compound NameN-(2,4-dimethylpentan-2-yl)-2-hydroxyacetamide;ethane;1-methoxy-3-methylbutane;3-methylbutan-1-ol;2,2,4-trimethylpentane
PubChem CID142464544
Molecular FormulaC30H69NO4
Molecular Weight507.89 g/mol
Exact Mass507.52
IUPAC NameN-(2,4-dimethylpentan-2-yl)-2-hydroxyacetamide;ethane;1-methoxy-3-methylbutane;3-methylbutan-1-ol;2,2,4-trimethylpentane
SMILESCC.CC(C)CC(C)(C)C.CC(C)CC(C)(C)NC(=O)CO.CC(C)CCO.COCCC(C)C
InChIInChI=1S/C9H19NO2.C8H18.C6H14O.C5H12O.C2H6/c1-7(2)5-9(3,4)10-8(12)6-11;1-7(2)6-8(3,4)5;1-6(2)4-5-7-3;1-5(2)3-4-6;1-2/h7,11H,5-6H2,1-4H3,(H,10,12);7H,6H2,1-5H3;6H,4-5H2,1-3H3;5-6H,3-4H2,1-2H3;1-2H3
InChIKeyDQKQYJDIVYGLBP-UHFFFAOYSA-N
XLogP7.73
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.89
LogP ≤ 57.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylpentan-2-yl)-2-hydroxyacetamide;ethane;1-methoxy-3-methylbutane;3-methylbutan-1-ol;2,2,4-trimethylpentane?
The IUPAC name of N-(2,4-dimethylpentan-2-yl)-2-hydroxyacetamide;ethane;1-methoxy-3-methylbutane;3-methylbutan-1-ol;2,2,4-trimethylpentane (CID 142464544) is N-(2,4-dimethylpentan-2-yl)-2-hydroxyacetamide;ethane;1-methoxy-3-methylbutane;3-methylbutan-1-ol;2,2,4-trimethylpentane.
What is the SMILES notation for N-(2,4-dimethylpentan-2-yl)-2-hydroxyacetamide;ethane;1-methoxy-3-methylbutane;3-methylbutan-1-ol;2,2,4-trimethylpentane?
The canonical SMILES for N-(2,4-dimethylpentan-2-yl)-2-hydroxyacetamide;ethane;1-methoxy-3-methylbutane;3-methylbutan-1-ol;2,2,4-trimethylpentane is CC.CC(C)CC(C)(C)C.CC(C)CC(C)(C)NC(=O)CO.CC(C)CCO.COCCC(C)C.
What is the InChIKey of N-(2,4-dimethylpentan-2-yl)-2-hydroxyacetamide;ethane;1-methoxy-3-methylbutane;3-methylbutan-1-ol;2,2,4-trimethylpentane?
The InChIKey is DQKQYJDIVYGLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2.C8H18.C6H14O.C5H12O.C2H6/c1-7(2)5-9(3,4)10-8(12)6-11;1-7(2)6-8(3,4)5;1-6(2)4-5-7-3;1-5(2)3-4-6;1-2/h7,11H,5-6H2,1-4H3,(H,10,12);7H,6H2,1-5H3;6H,4-5H2,1-3H3;5-6H,3-4H2,1-2H3;1-2H3.
What are the key properties of N-(2,4-dimethylpentan-2-yl)-2-hydroxyacetamide;ethane;1-methoxy-3-methylbutane;3-methylbutan-1-ol;2,2,4-trimethylpentane?
N-(2,4-dimethylpentan-2-yl)-2-hydroxyacetamide;ethane;1-methoxy-3-methylbutane;3-methylbutan-1-ol;2,2,4-trimethylpentane has a molecular weight of 507.89 g/mol, XLogP of 7.73, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylpentan-2-yl)-2-hydroxyacetamide;ethane;1-methoxy-3-methylbutane;3-methylbutan-1-ol;2,2,4-trimethylpentane is sourced from PubChem (CID 142464544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).