3,3,5-trimethyl-N-(oxan-4-ylmethyl)hexanamide

C15H29NO2 — CID 159183897

IUPAC3,3,5-trimethyl-N-(oxan-4-ylmethyl)hexanamide
SMILESCC(C)CC(C)(C)CC(=O)NCC1CCOCC1
InChIInChI=1S/C15H29NO2/c1-12(2)9-15(3,4)10-14(17)16-11-13-5-7-18-8-6-13/h12-13H,5-11H2,1-4H3,(H,16,17)
InChIKeyKNFWDKDDCYQUAS-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.99
Rot. Bonds6

About 3,3,5-trimethyl-N-(oxan-4-ylmethyl)hexanamide

3,3,5-trimethyl-N-(oxan-4-ylmethyl)hexanamide (PubChem CID 159183897) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 3,3,5-trimethyl-N-(oxan-4-ylmethyl)hexanamide.

Molecular Properties

Compound Name3,3,5-trimethyl-N-(oxan-4-ylmethyl)hexanamide
PubChem CID159183897
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name3,3,5-trimethyl-N-(oxan-4-ylmethyl)hexanamide
SMILESCC(C)CC(C)(C)CC(=O)NCC1CCOCC1
InChIInChI=1S/C15H29NO2/c1-12(2)9-15(3,4)10-14(17)16-11-13-5-7-18-8-6-13/h12-13H,5-11H2,1-4H3,(H,16,17)
InChIKeyKNFWDKDDCYQUAS-UHFFFAOYSA-N
XLogP2.99
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,5-trimethyl-N-(oxan-4-ylmethyl)hexanamide?
The IUPAC name of 3,3,5-trimethyl-N-(oxan-4-ylmethyl)hexanamide (CID 159183897) is 3,3,5-trimethyl-N-(oxan-4-ylmethyl)hexanamide.
What is the SMILES notation for 3,3,5-trimethyl-N-(oxan-4-ylmethyl)hexanamide?
The canonical SMILES for 3,3,5-trimethyl-N-(oxan-4-ylmethyl)hexanamide is CC(C)CC(C)(C)CC(=O)NCC1CCOCC1.
What is the InChIKey of 3,3,5-trimethyl-N-(oxan-4-ylmethyl)hexanamide?
The InChIKey is KNFWDKDDCYQUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-12(2)9-15(3,4)10-14(17)16-11-13-5-7-18-8-6-13/h12-13H,5-11H2,1-4H3,(H,16,17).
What are the key properties of 3,3,5-trimethyl-N-(oxan-4-ylmethyl)hexanamide?
3,3,5-trimethyl-N-(oxan-4-ylmethyl)hexanamide has a molecular weight of 255.40 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5-trimethyl-N-(oxan-4-ylmethyl)hexanamide is sourced from PubChem (CID 159183897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).