2-(diethylamino)-N-(2,4,4-trimethylpentan-2-yl)butanamide

C16H34N2O — CID 3066085

IUPAC2-(diethylamino)-N-(2,4,4-trimethylpentan-2-yl)butanamide
SMILESCCC(C(=O)NC(C)(C)CC(C)(C)C)N(CC)CC
InChIInChI=1S/C16H34N2O/c1-9-13(18(10-2)11-3)14(19)17-16(7,8)12-15(4,5)6/h13H,9-12H2,1-8H3,(H,17,19)
InChIKeyRIDZVBULQLZTPR-UHFFFAOYSA-N
MW270.46 g/mol
LogP3.44
Rot. Bonds7

About 2-(diethylamino)-N-(2,4,4-trimethylpentan-2-yl)butanamide

2-(diethylamino)-N-(2,4,4-trimethylpentan-2-yl)butanamide (PubChem CID 3066085) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is 2-(diethylamino)-N-(2,4,4-trimethylpentan-2-yl)butanamide.

Molecular Properties

Compound Name2-(diethylamino)-N-(2,4,4-trimethylpentan-2-yl)butanamide
PubChem CID3066085
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name2-(diethylamino)-N-(2,4,4-trimethylpentan-2-yl)butanamide
SMILESCCC(C(=O)NC(C)(C)CC(C)(C)C)N(CC)CC
InChIInChI=1S/C16H34N2O/c1-9-13(18(10-2)11-3)14(19)17-16(7,8)12-15(4,5)6/h13H,9-12H2,1-8H3,(H,17,19)
InChIKeyRIDZVBULQLZTPR-UHFFFAOYSA-N
XLogP3.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-N-(2,4,4-trimethylpentan-2-yl)butanamide?
The IUPAC name of 2-(diethylamino)-N-(2,4,4-trimethylpentan-2-yl)butanamide (CID 3066085) is 2-(diethylamino)-N-(2,4,4-trimethylpentan-2-yl)butanamide.
What is the SMILES notation for 2-(diethylamino)-N-(2,4,4-trimethylpentan-2-yl)butanamide?
The canonical SMILES for 2-(diethylamino)-N-(2,4,4-trimethylpentan-2-yl)butanamide is CCC(C(=O)NC(C)(C)CC(C)(C)C)N(CC)CC.
What is the InChIKey of 2-(diethylamino)-N-(2,4,4-trimethylpentan-2-yl)butanamide?
The InChIKey is RIDZVBULQLZTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-9-13(18(10-2)11-3)14(19)17-16(7,8)12-15(4,5)6/h13H,9-12H2,1-8H3,(H,17,19).
What are the key properties of 2-(diethylamino)-N-(2,4,4-trimethylpentan-2-yl)butanamide?
2-(diethylamino)-N-(2,4,4-trimethylpentan-2-yl)butanamide has a molecular weight of 270.46 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-N-(2,4,4-trimethylpentan-2-yl)butanamide is sourced from PubChem (CID 3066085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).