N-(4,4-dimethylpentyl)-5,5-dimethyl-4-oxohexanamide

C15H29NO2 — CID 161471539

IUPACN-(4,4-dimethylpentyl)-5,5-dimethyl-4-oxohexanamide
SMILESCC(C)(C)CCCNC(=O)CCC(=O)C(C)(C)C
InChIInChI=1S/C15H29NO2/c1-14(2,3)10-7-11-16-13(18)9-8-12(17)15(4,5)6/h7-11H2,1-6H3,(H,16,18)
InChIKeyWDDOYCLEFACJRY-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.32
Rot. Bonds6

About N-(4,4-dimethylpentyl)-5,5-dimethyl-4-oxohexanamide

N-(4,4-dimethylpentyl)-5,5-dimethyl-4-oxohexanamide (PubChem CID 161471539) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is N-(4,4-dimethylpentyl)-5,5-dimethyl-4-oxohexanamide.

Molecular Properties

Compound NameN-(4,4-dimethylpentyl)-5,5-dimethyl-4-oxohexanamide
PubChem CID161471539
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC NameN-(4,4-dimethylpentyl)-5,5-dimethyl-4-oxohexanamide
SMILESCC(C)(C)CCCNC(=O)CCC(=O)C(C)(C)C
InChIInChI=1S/C15H29NO2/c1-14(2,3)10-7-11-16-13(18)9-8-12(17)15(4,5)6/h7-11H2,1-6H3,(H,16,18)
InChIKeyWDDOYCLEFACJRY-UHFFFAOYSA-N
XLogP3.32
TPSA46.17 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 ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethylpentyl)-5,5-dimethyl-4-oxohexanamide?
The IUPAC name of N-(4,4-dimethylpentyl)-5,5-dimethyl-4-oxohexanamide (CID 161471539) is N-(4,4-dimethylpentyl)-5,5-dimethyl-4-oxohexanamide.
What is the SMILES notation for N-(4,4-dimethylpentyl)-5,5-dimethyl-4-oxohexanamide?
The canonical SMILES for N-(4,4-dimethylpentyl)-5,5-dimethyl-4-oxohexanamide is CC(C)(C)CCCNC(=O)CCC(=O)C(C)(C)C.
What is the InChIKey of N-(4,4-dimethylpentyl)-5,5-dimethyl-4-oxohexanamide?
The InChIKey is WDDOYCLEFACJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-14(2,3)10-7-11-16-13(18)9-8-12(17)15(4,5)6/h7-11H2,1-6H3,(H,16,18).
What are the key properties of N-(4,4-dimethylpentyl)-5,5-dimethyl-4-oxohexanamide?
N-(4,4-dimethylpentyl)-5,5-dimethyl-4-oxohexanamide has a molecular weight of 255.40 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethylpentyl)-5,5-dimethyl-4-oxohexanamide is sourced from PubChem (CID 161471539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).