2,2-dimethyl-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)propanamide

C15H29NO2 — CID 58363540

IUPAC2,2-dimethyl-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)propanamide
SMILESCC(C)(C)C(=O)NC(C(=O)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C15H29NO2/c1-13(2,3)10(11(17)14(4,5)6)16-12(18)15(7,8)9/h10H,1-9H3,(H,16,18)
InChIKeyYXPUPOHJFWNKGQ-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.18
Rot. Bonds2

About 2,2-dimethyl-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)propanamide

2,2-dimethyl-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)propanamide (PubChem CID 58363540) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 2,2-dimethyl-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)propanamide
PubChem CID58363540
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name2,2-dimethyl-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)propanamide
SMILESCC(C)(C)C(=O)NC(C(=O)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C15H29NO2/c1-13(2,3)10(11(17)14(4,5)6)16-12(18)15(7,8)9/h10H,1-9H3,(H,16,18)
InChIKeyYXPUPOHJFWNKGQ-UHFFFAOYSA-N
XLogP3.18
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)propanamide?
The IUPAC name of 2,2-dimethyl-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)propanamide (CID 58363540) is 2,2-dimethyl-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)propanamide.
What is the SMILES notation for 2,2-dimethyl-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)propanamide?
The canonical SMILES for 2,2-dimethyl-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)propanamide is CC(C)(C)C(=O)NC(C(=O)C(C)(C)C)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)propanamide?
The InChIKey is YXPUPOHJFWNKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-13(2,3)10(11(17)14(4,5)6)16-12(18)15(7,8)9/h10H,1-9H3,(H,16,18).
What are the key properties of 2,2-dimethyl-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)propanamide?
2,2-dimethyl-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)propanamide has a molecular weight of 255.40 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)propanamide is sourced from PubChem (CID 58363540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).