ethane;N-(4-hydroxy-2-methylbutan-2-yl)-2,2,4,4-tetramethyl-5-oxohexanamide;2,4,4,6-tetramethylheptane

C28H59NO3 — CID 178050067

IUPACethane;N-(4-hydroxy-2-methylbutan-2-yl)-2,2,4,4-tetramethyl-5-oxohexanamide;2,4,4,6-tetramethylheptane
SMILESCC.CC(=O)C(C)(C)CC(C)(C)C(=O)NC(C)(C)CCO.CC(C)CC(C)(C)CC(C)C
InChIInChI=1S/C15H29NO3.C11H24.C2H6/c1-11(18)13(2,3)10-14(4,5)12(19)16-15(6,7)8-9-17;1-9(2)7-11(5,6)8-10(3)4;1-2/h17H,8-10H2,1-7H3,(H,16,19);9-10H,7-8H2,1-6H3;1-2H3
InChIKeyICDBTXPPCWPGRE-UHFFFAOYSA-N
MW457.78 g/mol
LogP7.43
Rot. Bonds11

About ethane;N-(4-hydroxy-2-methylbutan-2-yl)-2,2,4,4-tetramethyl-5-oxohexanamide;2,4,4,6-tetramethylheptane

ethane;N-(4-hydroxy-2-methylbutan-2-yl)-2,2,4,4-tetramethyl-5-oxohexanamide;2,4,4,6-tetramethylheptane (PubChem CID 178050067) has the molecular formula C28H59NO3 and a molecular weight of 457.78 g/mol. Its IUPAC name is ethane;N-(4-hydroxy-2-methylbutan-2-yl)-2,2,4,4-tetramethyl-5-oxohexanamide;2,4,4,6-tetramethylheptane.

Molecular Properties

Compound Nameethane;N-(4-hydroxy-2-methylbutan-2-yl)-2,2,4,4-tetramethyl-5-oxohexanamide;2,4,4,6-tetramethylheptane
PubChem CID178050067
Molecular FormulaC28H59NO3
Molecular Weight457.78 g/mol
Exact Mass457.45
IUPAC Nameethane;N-(4-hydroxy-2-methylbutan-2-yl)-2,2,4,4-tetramethyl-5-oxohexanamide;2,4,4,6-tetramethylheptane
SMILESCC.CC(=O)C(C)(C)CC(C)(C)C(=O)NC(C)(C)CCO.CC(C)CC(C)(C)CC(C)C
InChIInChI=1S/C15H29NO3.C11H24.C2H6/c1-11(18)13(2,3)10-14(4,5)12(19)16-15(6,7)8-9-17;1-9(2)7-11(5,6)8-10(3)4;1-2/h17H,8-10H2,1-7H3,(H,16,19);9-10H,7-8H2,1-6H3;1-2H3
InChIKeyICDBTXPPCWPGRE-UHFFFAOYSA-N
XLogP7.43
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.78
LogP ≤ 57.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze ethane;N-(4-hydroxy-2-methylbutan-2-yl)-2,2,4,4-tetramethyl-5-oxohexanamide;2,4,4,6-tetramethylheptane with MolForge

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Related Compounds

(2S)-2-amino-N-(4-hydroxy-2-methylbutan-2-yl)-4-methylpentanamide
CID 104873418
2,3-dimethylbutane;N-(2-hydroxyethyl)-2,2,4,4-tetramethyl-5-oxohexanamide;2-methylpropan-1-ol
CID 166130929
3,3,5,5,7-pentamethyloctan-1-ol
CID 121365228
N-(2-hydroxyethyl)-2,2,4,4-tetramethyl-5-oxohexanamide
CID 166130930
3,3,5-trimethylhexan-2-one
CID 2776079
N-hydroxy-2,2,4,4-tetramethyl-5-oxohexanamide
CID 89136777
ethane;2,2,4,4-tetramethyl-N-(2,4,4-trimethylpentan-2-yl)pentanamide
CID 144952637
ethane;N-(4-hydroxy-2-methylbutan-2-yl)acetamide;2,4,4,5-tetramethyl-2-methylsulfanylhexane
CID 156707097
3,3,5-trimethyl-5-(propan-2-ylamino)hexan-2-one
CID 164974261
(2R)-2-amino-N-(4-hydroxy-2-methylbutan-2-yl)-3,3-dimethylbutanamide
CID 104873423
N-(4-hydroxy-2-methylbutan-2-yl)-3,5,5-trimethylhexanamide
CID 115968914
ethane;2,2,4,4-tetramethyl-N-[2-methyl-4-(3-sulfanylbutan-2-yloxy)butan-2-yl]hexanamide
CID 167448096

Frequently Asked Questions

What is the IUPAC name of ethane;N-(4-hydroxy-2-methylbutan-2-yl)-2,2,4,4-tetramethyl-5-oxohexanamide;2,4,4,6-tetramethylheptane?
The IUPAC name of ethane;N-(4-hydroxy-2-methylbutan-2-yl)-2,2,4,4-tetramethyl-5-oxohexanamide;2,4,4,6-tetramethylheptane (CID 178050067) is ethane;N-(4-hydroxy-2-methylbutan-2-yl)-2,2,4,4-tetramethyl-5-oxohexanamide;2,4,4,6-tetramethylheptane.
What is the SMILES notation for ethane;N-(4-hydroxy-2-methylbutan-2-yl)-2,2,4,4-tetramethyl-5-oxohexanamide;2,4,4,6-tetramethylheptane?
The canonical SMILES for ethane;N-(4-hydroxy-2-methylbutan-2-yl)-2,2,4,4-tetramethyl-5-oxohexanamide;2,4,4,6-tetramethylheptane is CC.CC(=O)C(C)(C)CC(C)(C)C(=O)NC(C)(C)CCO.CC(C)CC(C)(C)CC(C)C.
What is the InChIKey of ethane;N-(4-hydroxy-2-methylbutan-2-yl)-2,2,4,4-tetramethyl-5-oxohexanamide;2,4,4,6-tetramethylheptane?
The InChIKey is ICDBTXPPCWPGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3.C11H24.C2H6/c1-11(18)13(2,3)10-14(4,5)12(19)16-15(6,7)8-9-17;1-9(2)7-11(5,6)8-10(3)4;1-2/h17H,8-10H2,1-7H3,(H,16,19);9-10H,7-8H2,1-6H3;1-2H3.
What are the key properties of ethane;N-(4-hydroxy-2-methylbutan-2-yl)-2,2,4,4-tetramethyl-5-oxohexanamide;2,4,4,6-tetramethylheptane?
ethane;N-(4-hydroxy-2-methylbutan-2-yl)-2,2,4,4-tetramethyl-5-oxohexanamide;2,4,4,6-tetramethylheptane has a molecular weight of 457.78 g/mol, XLogP of 7.43, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(4-hydroxy-2-methylbutan-2-yl)-2,2,4,4-tetramethyl-5-oxohexanamide;2,4,4,6-tetramethylheptane is sourced from PubChem (CID 178050067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).