N,3,3,5,5-pentamethylhexanamide

C11H23NO — CID 134573804

IUPACN,3,3,5,5-pentamethylhexanamide
SMILESCNC(=O)CC(C)(C)CC(C)(C)C
InChIInChI=1S/C11H23NO/c1-10(2,3)8-11(4,5)7-9(13)12-6/h7-8H2,1-6H3,(H,12,13)
InChIKeySGNFEDAOGKLWOO-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.58
Rot. Bonds3

About N,3,3,5,5-pentamethylhexanamide

N,3,3,5,5-pentamethylhexanamide (PubChem CID 134573804) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is N,3,3,5,5-pentamethylhexanamide.

Molecular Properties

Compound NameN,3,3,5,5-pentamethylhexanamide
PubChem CID134573804
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC NameN,3,3,5,5-pentamethylhexanamide
SMILESCNC(=O)CC(C)(C)CC(C)(C)C
InChIInChI=1S/C11H23NO/c1-10(2,3)8-11(4,5)7-9(13)12-6/h7-8H2,1-6H3,(H,12,13)
InChIKeySGNFEDAOGKLWOO-UHFFFAOYSA-N
XLogP2.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,3,3,5,5-pentamethylhexanamide?
The IUPAC name of N,3,3,5,5-pentamethylhexanamide (CID 134573804) is N,3,3,5,5-pentamethylhexanamide.
What is the SMILES notation for N,3,3,5,5-pentamethylhexanamide?
The canonical SMILES for N,3,3,5,5-pentamethylhexanamide is CNC(=O)CC(C)(C)CC(C)(C)C.
What is the InChIKey of N,3,3,5,5-pentamethylhexanamide?
The InChIKey is SGNFEDAOGKLWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-10(2,3)8-11(4,5)7-9(13)12-6/h7-8H2,1-6H3,(H,12,13).
What are the key properties of N,3,3,5,5-pentamethylhexanamide?
N,3,3,5,5-pentamethylhexanamide has a molecular weight of 185.31 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,3,5,5-pentamethylhexanamide is sourced from PubChem (CID 134573804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).