2-(2,2-dimethylpropyl)-2,4,4-trimethyl-N-(2-methylbutan-2-yl)pentanamide

C18H37NO — CID 155260719

IUPAC2-(2,2-dimethylpropyl)-2,4,4-trimethyl-N-(2-methylbutan-2-yl)pentanamide
SMILESCCC(C)(C)NC(=O)C(C)(CC(C)(C)C)CC(C)(C)C
InChIInChI=1S/C18H37NO/c1-11-17(8,9)19-14(20)18(10,12-15(2,3)4)13-16(5,6)7/h11-13H2,1-10H3,(H,19,20)
InChIKeyJSBMRUHKTKEIQI-UHFFFAOYSA-N
MW283.50 g/mol
LogP5.17
Rot. Bonds5

About 2-(2,2-dimethylpropyl)-2,4,4-trimethyl-N-(2-methylbutan-2-yl)pentanamide

2-(2,2-dimethylpropyl)-2,4,4-trimethyl-N-(2-methylbutan-2-yl)pentanamide (PubChem CID 155260719) has the molecular formula C18H37NO and a molecular weight of 283.50 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-2,4,4-trimethyl-N-(2-methylbutan-2-yl)pentanamide.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-2,4,4-trimethyl-N-(2-methylbutan-2-yl)pentanamide
PubChem CID155260719
Molecular FormulaC18H37NO
Molecular Weight283.50 g/mol
Exact Mass283.29
IUPAC Name2-(2,2-dimethylpropyl)-2,4,4-trimethyl-N-(2-methylbutan-2-yl)pentanamide
SMILESCCC(C)(C)NC(=O)C(C)(CC(C)(C)C)CC(C)(C)C
InChIInChI=1S/C18H37NO/c1-11-17(8,9)19-14(20)18(10,12-15(2,3)4)13-16(5,6)7/h11-13H2,1-10H3,(H,19,20)
InChIKeyJSBMRUHKTKEIQI-UHFFFAOYSA-N
XLogP5.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.50
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-2,4,4-trimethyl-N-(2-methylbutan-2-yl)pentanamide?
The IUPAC name of 2-(2,2-dimethylpropyl)-2,4,4-trimethyl-N-(2-methylbutan-2-yl)pentanamide (CID 155260719) is 2-(2,2-dimethylpropyl)-2,4,4-trimethyl-N-(2-methylbutan-2-yl)pentanamide.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-2,4,4-trimethyl-N-(2-methylbutan-2-yl)pentanamide?
The canonical SMILES for 2-(2,2-dimethylpropyl)-2,4,4-trimethyl-N-(2-methylbutan-2-yl)pentanamide is CCC(C)(C)NC(=O)C(C)(CC(C)(C)C)CC(C)(C)C.
What is the InChIKey of 2-(2,2-dimethylpropyl)-2,4,4-trimethyl-N-(2-methylbutan-2-yl)pentanamide?
The InChIKey is JSBMRUHKTKEIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO/c1-11-17(8,9)19-14(20)18(10,12-15(2,3)4)13-16(5,6)7/h11-13H2,1-10H3,(H,19,20).
What are the key properties of 2-(2,2-dimethylpropyl)-2,4,4-trimethyl-N-(2-methylbutan-2-yl)pentanamide?
2-(2,2-dimethylpropyl)-2,4,4-trimethyl-N-(2-methylbutan-2-yl)pentanamide has a molecular weight of 283.50 g/mol, XLogP of 5.17, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-2,4,4-trimethyl-N-(2-methylbutan-2-yl)pentanamide is sourced from PubChem (CID 155260719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).