2,2,4,4-tetramethyl-N-(oxan-4-ylmethyl)pentanamide

C15H29NO2 — CID 145047372

IUPAC2,2,4,4-tetramethyl-N-(oxan-4-ylmethyl)pentanamide
SMILESCC(C)(C)CC(C)(C)C(=O)NCC1CCOCC1
InChIInChI=1S/C15H29NO2/c1-14(2,3)11-15(4,5)13(17)16-10-12-6-8-18-9-7-12/h12H,6-11H2,1-5H3,(H,16,17)
InChIKeyXZIDXSRVTDBCDP-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.99
Rot. Bonds4

About 2,2,4,4-tetramethyl-N-(oxan-4-ylmethyl)pentanamide

2,2,4,4-tetramethyl-N-(oxan-4-ylmethyl)pentanamide (PubChem CID 145047372) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 2,2,4,4-tetramethyl-N-(oxan-4-ylmethyl)pentanamide.

Molecular Properties

Compound Name2,2,4,4-tetramethyl-N-(oxan-4-ylmethyl)pentanamide
PubChem CID145047372
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name2,2,4,4-tetramethyl-N-(oxan-4-ylmethyl)pentanamide
SMILESCC(C)(C)CC(C)(C)C(=O)NCC1CCOCC1
InChIInChI=1S/C15H29NO2/c1-14(2,3)11-15(4,5)13(17)16-10-12-6-8-18-9-7-12/h12H,6-11H2,1-5H3,(H,16,17)
InChIKeyXZIDXSRVTDBCDP-UHFFFAOYSA-N
XLogP2.99
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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 2,2,4,4-tetramethyl-N-(oxan-4-ylmethyl)pentanamide?
The IUPAC name of 2,2,4,4-tetramethyl-N-(oxan-4-ylmethyl)pentanamide (CID 145047372) is 2,2,4,4-tetramethyl-N-(oxan-4-ylmethyl)pentanamide.
What is the SMILES notation for 2,2,4,4-tetramethyl-N-(oxan-4-ylmethyl)pentanamide?
The canonical SMILES for 2,2,4,4-tetramethyl-N-(oxan-4-ylmethyl)pentanamide is CC(C)(C)CC(C)(C)C(=O)NCC1CCOCC1.
What is the InChIKey of 2,2,4,4-tetramethyl-N-(oxan-4-ylmethyl)pentanamide?
The InChIKey is XZIDXSRVTDBCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-14(2,3)11-15(4,5)13(17)16-10-12-6-8-18-9-7-12/h12H,6-11H2,1-5H3,(H,16,17).
What are the key properties of 2,2,4,4-tetramethyl-N-(oxan-4-ylmethyl)pentanamide?
2,2,4,4-tetramethyl-N-(oxan-4-ylmethyl)pentanamide has a molecular weight of 255.40 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4-tetramethyl-N-(oxan-4-ylmethyl)pentanamide is sourced from PubChem (CID 145047372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).