N-(4,4-dimethylpentan-2-yl)-2,2,4,4,5,5-hexamethylhexanamide

C19H39NO — CID 155457724

IUPACN-(4,4-dimethylpentan-2-yl)-2,2,4,4,5,5-hexamethylhexanamide
SMILESCC(CC(C)(C)C)NC(=O)C(C)(C)CC(C)(C)C(C)(C)C
InChIInChI=1S/C19H39NO/c1-14(12-16(2,3)4)20-15(21)18(8,9)13-19(10,11)17(5,6)7/h14H,12-13H2,1-11H3,(H,20,21)
InChIKeyVLJXYQNNYBVGBU-UHFFFAOYSA-N
MW297.53 g/mol
LogP5.42
Rot. Bonds5

About N-(4,4-dimethylpentan-2-yl)-2,2,4,4,5,5-hexamethylhexanamide

N-(4,4-dimethylpentan-2-yl)-2,2,4,4,5,5-hexamethylhexanamide (PubChem CID 155457724) has the molecular formula C19H39NO and a molecular weight of 297.53 g/mol. Its IUPAC name is N-(4,4-dimethylpentan-2-yl)-2,2,4,4,5,5-hexamethylhexanamide.

Molecular Properties

Compound NameN-(4,4-dimethylpentan-2-yl)-2,2,4,4,5,5-hexamethylhexanamide
PubChem CID155457724
Molecular FormulaC19H39NO
Molecular Weight297.53 g/mol
Exact Mass297.30
IUPAC NameN-(4,4-dimethylpentan-2-yl)-2,2,4,4,5,5-hexamethylhexanamide
SMILESCC(CC(C)(C)C)NC(=O)C(C)(C)CC(C)(C)C(C)(C)C
InChIInChI=1S/C19H39NO/c1-14(12-16(2,3)4)20-15(21)18(8,9)13-19(10,11)17(5,6)7/h14H,12-13H2,1-11H3,(H,20,21)
InChIKeyVLJXYQNNYBVGBU-UHFFFAOYSA-N
XLogP5.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.53
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2,4,4,5,5-hexamethyl-N-(2,4,4,5-tetramethylhexan-2-yl)hexanamide
CID 123857190
4-(2,2-dimethylbutanoylamino)-2,2-dimethylpentanoic acid
CID 146339486
tert-butyl N-(4,4-dimethylpentan-2-yl)carbamate
CID 59686952
4,4-dimethyl-N-prop-1-en-2-ylpentan-2-amine
CID 129049369
N-(1-hydroxypropan-2-yl)-2,2-dimethylbutanamide
CID 62677681
N-(1-aminopropan-2-yl)-2,2-dimethylbutanamide
CID 63733019
2,2,4-trimethyl-N-propan-2-ylpentanamide
CID 126707660
N-(1-ethylsulfonylpropan-2-yl)-2,2-dimethylbutanamide
CID 71931421
3-amino-2,2-dimethyl-N-(5-methylhexan-2-yl)propanamide
CID 63925891
3-chloro-N-[1-(dimethylamino)propan-2-yl]-2,2-dimethylpropanamide
CID 82945442
2-(2,3-dihydroxypropylsulfanyl)-N-(4,4-dimethylpentan-2-yl)acetamide
CID 134590482
3-chloro-2,2-dimethyl-N-(1-methylsulfonylpropan-2-yl)propanamide
CID 64630190

Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethylpentan-2-yl)-2,2,4,4,5,5-hexamethylhexanamide?
The IUPAC name of N-(4,4-dimethylpentan-2-yl)-2,2,4,4,5,5-hexamethylhexanamide (CID 155457724) is N-(4,4-dimethylpentan-2-yl)-2,2,4,4,5,5-hexamethylhexanamide.
What is the SMILES notation for N-(4,4-dimethylpentan-2-yl)-2,2,4,4,5,5-hexamethylhexanamide?
The canonical SMILES for N-(4,4-dimethylpentan-2-yl)-2,2,4,4,5,5-hexamethylhexanamide is CC(CC(C)(C)C)NC(=O)C(C)(C)CC(C)(C)C(C)(C)C.
What is the InChIKey of N-(4,4-dimethylpentan-2-yl)-2,2,4,4,5,5-hexamethylhexanamide?
The InChIKey is VLJXYQNNYBVGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39NO/c1-14(12-16(2,3)4)20-15(21)18(8,9)13-19(10,11)17(5,6)7/h14H,12-13H2,1-11H3,(H,20,21).
What are the key properties of N-(4,4-dimethylpentan-2-yl)-2,2,4,4,5,5-hexamethylhexanamide?
N-(4,4-dimethylpentan-2-yl)-2,2,4,4,5,5-hexamethylhexanamide has a molecular weight of 297.53 g/mol, XLogP of 5.42, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethylpentan-2-yl)-2,2,4,4,5,5-hexamethylhexanamide is sourced from PubChem (CID 155457724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).