ethane;3,3,5,5-tetramethyl-N-(2,2,4,4,5-pentamethylhexyl)hexanamide

C23H49NO — CID 178061969

IUPACethane;3,3,5,5-tetramethyl-N-(2,2,4,4,5-pentamethylhexyl)hexanamide
SMILESCC.CC(C)C(C)(C)CC(C)(C)CNC(=O)CC(C)(C)CC(C)(C)C
InChIInChI=1S/C21H43NO.C2H6/c1-16(2)21(10,11)14-20(8,9)15-22-17(23)12-19(6,7)13-18(3,4)5;1-2/h16H,12-15H2,1-11H3,(H,22,23);1-2H3
InChIKeyDHPZNQOBKHRCMO-UHFFFAOYSA-N
MW355.65 g/mol
LogP7.08
Rot. Bonds8

About ethane;3,3,5,5-tetramethyl-N-(2,2,4,4,5-pentamethylhexyl)hexanamide

ethane;3,3,5,5-tetramethyl-N-(2,2,4,4,5-pentamethylhexyl)hexanamide (PubChem CID 178061969) has the molecular formula C23H49NO and a molecular weight of 355.65 g/mol. Its IUPAC name is ethane;3,3,5,5-tetramethyl-N-(2,2,4,4,5-pentamethylhexyl)hexanamide.

Molecular Properties

Compound Nameethane;3,3,5,5-tetramethyl-N-(2,2,4,4,5-pentamethylhexyl)hexanamide
PubChem CID178061969
Molecular FormulaC23H49NO
Molecular Weight355.65 g/mol
Exact Mass355.38
IUPAC Nameethane;3,3,5,5-tetramethyl-N-(2,2,4,4,5-pentamethylhexyl)hexanamide
SMILESCC.CC(C)C(C)(C)CC(C)(C)CNC(=O)CC(C)(C)CC(C)(C)C
InChIInChI=1S/C21H43NO.C2H6/c1-16(2)21(10,11)14-20(8,9)15-22-17(23)12-19(6,7)13-18(3,4)5;1-2/h16H,12-15H2,1-11H3,(H,22,23);1-2H3
InChIKeyDHPZNQOBKHRCMO-UHFFFAOYSA-N
XLogP7.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.65
LogP ≤ 57.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[2-oxo-2-(2,2,4,4,5-pentamethylhexylamino)ethoxy]methanethioic S-acid
CID 178049712
N,3,3,5,5-pentamethylhexanamide
CID 134573804
2-methyl-4-oxo-2-propan-2-yl-4-(2,2,3-trimethylbutylamino)butanoic acid
CID 114099256
3-[2-(methylamino)ethyl-[3-oxo-3-(2,2,4,4-tetramethylpentylamino)propyl]amino]-N-(2,2,4,4-tetramethylpentyl)propanamide
CID 89061413
3-[2-[2-[2-[bis[3-oxo-3-(2,2,4,4-tetramethylpentylamino)propyl]amino]ethyl-[3-oxo-3-(2,2,4,4-tetramethylpentylamino)propyl]amino]ethylamino]ethyl-[3-oxo-3-(2,2,4,4-tetramethylpentylamino)propyl]amino]-N-(2,2,4,4-tetramethylpentyl)propanamide
CID 91045075
4-[4-(2,2-dimethylpropylamino)-2-methyl-4-oxobutan-2-yl]oxy-2,2-dimethyl-N-[2,2,4-trimethyl-4-(propan-2-ylamino)pentyl]butanamide;ethane;molecular hydrogen
CID 168959616
3-[2-[[3-oxo-3-(2,2,4,4-tetramethylpentylamino)propyl]-propan-2-ylamino]ethyl-propan-2-ylamino]-N-(2,2,4-trimethylpentyl)propanamide
CID 89061392
2-methylpropane;propane;N-(2,2,4,4-tetramethylhexyl)propanamide
CID 167513354
methanamine;propane;2,2,3-trimethyl-N-(2,2,4,4-tetramethyl-6-oxoheptyl)butanamide
CID 144742394
3,3,5,5-tetramethyl-N-(6-oxooctyl)hexanamide
CID 178052296
3,3-dimethyl-N-(2,4,4,5-tetramethylhexyl)hexanamide
CID 155456074
3,3,5,5-tetramethyl-N-[2-methyl-2-(methylamino)propyl]-6-oxoheptanamide
CID 155031045

Frequently Asked Questions

What is the IUPAC name of ethane;3,3,5,5-tetramethyl-N-(2,2,4,4,5-pentamethylhexyl)hexanamide?
The IUPAC name of ethane;3,3,5,5-tetramethyl-N-(2,2,4,4,5-pentamethylhexyl)hexanamide (CID 178061969) is ethane;3,3,5,5-tetramethyl-N-(2,2,4,4,5-pentamethylhexyl)hexanamide.
What is the SMILES notation for ethane;3,3,5,5-tetramethyl-N-(2,2,4,4,5-pentamethylhexyl)hexanamide?
The canonical SMILES for ethane;3,3,5,5-tetramethyl-N-(2,2,4,4,5-pentamethylhexyl)hexanamide is CC.CC(C)C(C)(C)CC(C)(C)CNC(=O)CC(C)(C)CC(C)(C)C.
What is the InChIKey of ethane;3,3,5,5-tetramethyl-N-(2,2,4,4,5-pentamethylhexyl)hexanamide?
The InChIKey is DHPZNQOBKHRCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H43NO.C2H6/c1-16(2)21(10,11)14-20(8,9)15-22-17(23)12-19(6,7)13-18(3,4)5;1-2/h16H,12-15H2,1-11H3,(H,22,23);1-2H3.
What are the key properties of ethane;3,3,5,5-tetramethyl-N-(2,2,4,4,5-pentamethylhexyl)hexanamide?
ethane;3,3,5,5-tetramethyl-N-(2,2,4,4,5-pentamethylhexyl)hexanamide has a molecular weight of 355.65 g/mol, XLogP of 7.08, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3,3,5,5-tetramethyl-N-(2,2,4,4,5-pentamethylhexyl)hexanamide is sourced from PubChem (CID 178061969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).