3,3,5,5-tetramethyl-N-[2-methyl-2-(methylamino)propyl]-6-oxoheptanamide

C16H32N2O2 — CID 155031045

IUPAC3,3,5,5-tetramethyl-N-[2-methyl-2-(methylamino)propyl]-6-oxoheptanamide
SMILESCNC(C)(C)CNC(=O)CC(C)(C)CC(C)(C)C(C)=O
InChIInChI=1S/C16H32N2O2/c1-12(19)15(4,5)10-14(2,3)9-13(20)18-11-16(6,7)17-8/h17H,9-11H2,1-8H3,(H,18,20)
InChIKeyYXIAJNPASFABLM-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.52
Rot. Bonds8

About 3,3,5,5-tetramethyl-N-[2-methyl-2-(methylamino)propyl]-6-oxoheptanamide

3,3,5,5-tetramethyl-N-[2-methyl-2-(methylamino)propyl]-6-oxoheptanamide (PubChem CID 155031045) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is 3,3,5,5-tetramethyl-N-[2-methyl-2-(methylamino)propyl]-6-oxoheptanamide.

Molecular Properties

Compound Name3,3,5,5-tetramethyl-N-[2-methyl-2-(methylamino)propyl]-6-oxoheptanamide
PubChem CID155031045
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name3,3,5,5-tetramethyl-N-[2-methyl-2-(methylamino)propyl]-6-oxoheptanamide
SMILESCNC(C)(C)CNC(=O)CC(C)(C)CC(C)(C)C(C)=O
InChIInChI=1S/C16H32N2O2/c1-12(19)15(4,5)10-14(2,3)9-13(20)18-11-16(6,7)17-8/h17H,9-11H2,1-8H3,(H,18,20)
InChIKeyYXIAJNPASFABLM-UHFFFAOYSA-N
XLogP2.52
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3,5,5-tetramethyl-N-[2-methyl-2-(methylamino)propyl]-6-oxoheptanamide?
The IUPAC name of 3,3,5,5-tetramethyl-N-[2-methyl-2-(methylamino)propyl]-6-oxoheptanamide (CID 155031045) is 3,3,5,5-tetramethyl-N-[2-methyl-2-(methylamino)propyl]-6-oxoheptanamide.
What is the SMILES notation for 3,3,5,5-tetramethyl-N-[2-methyl-2-(methylamino)propyl]-6-oxoheptanamide?
The canonical SMILES for 3,3,5,5-tetramethyl-N-[2-methyl-2-(methylamino)propyl]-6-oxoheptanamide is CNC(C)(C)CNC(=O)CC(C)(C)CC(C)(C)C(C)=O.
What is the InChIKey of 3,3,5,5-tetramethyl-N-[2-methyl-2-(methylamino)propyl]-6-oxoheptanamide?
The InChIKey is YXIAJNPASFABLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-12(19)15(4,5)10-14(2,3)9-13(20)18-11-16(6,7)17-8/h17H,9-11H2,1-8H3,(H,18,20).
What are the key properties of 3,3,5,5-tetramethyl-N-[2-methyl-2-(methylamino)propyl]-6-oxoheptanamide?
3,3,5,5-tetramethyl-N-[2-methyl-2-(methylamino)propyl]-6-oxoheptanamide has a molecular weight of 284.44 g/mol, XLogP of 2.52, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5,5-tetramethyl-N-[2-methyl-2-(methylamino)propyl]-6-oxoheptanamide is sourced from PubChem (CID 155031045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).