N-(5,5-dimethylhexyl)-6-(5-oxo-2H-pyrrol-1-yl)hexanamide

C18H32N2O2 — CID 134403435

IUPACN-(5,5-dimethylhexyl)-6-(5-oxo-2H-pyrrol-1-yl)hexanamide
SMILESCC(C)(C)CCCCNC(=O)CCCCCN1CC=CC1=O
InChIInChI=1S/C18H32N2O2/c1-18(2,3)12-6-7-13-19-16(21)10-5-4-8-14-20-15-9-11-17(20)22/h9,11H,4-8,10,12-15H2,1-3H3,(H,19,21)
InChIKeyBEUHYZKLQUZLJU-UHFFFAOYSA-N
MW308.47 g/mol
LogP3.28
Rot. Bonds10

About N-(5,5-dimethylhexyl)-6-(5-oxo-2H-pyrrol-1-yl)hexanamide

N-(5,5-dimethylhexyl)-6-(5-oxo-2H-pyrrol-1-yl)hexanamide (PubChem CID 134403435) has the molecular formula C18H32N2O2 and a molecular weight of 308.47 g/mol. Its IUPAC name is N-(5,5-dimethylhexyl)-6-(5-oxo-2H-pyrrol-1-yl)hexanamide.

Molecular Properties

Compound NameN-(5,5-dimethylhexyl)-6-(5-oxo-2H-pyrrol-1-yl)hexanamide
PubChem CID134403435
Molecular FormulaC18H32N2O2
Molecular Weight308.47 g/mol
Exact Mass308.25
IUPAC NameN-(5,5-dimethylhexyl)-6-(5-oxo-2H-pyrrol-1-yl)hexanamide
SMILESCC(C)(C)CCCCNC(=O)CCCCCN1CC=CC1=O
InChIInChI=1S/C18H32N2O2/c1-18(2,3)12-6-7-13-19-16(21)10-5-4-8-14-20-15-9-11-17(20)22/h9,11H,4-8,10,12-15H2,1-3H3,(H,19,21)
InChIKeyBEUHYZKLQUZLJU-UHFFFAOYSA-N
XLogP3.28
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(5,5-dimethylhexyl)-6-(5-oxo-2H-pyrrol-1-yl)hexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5,5-dimethylhexyl)-6-(5-oxo-2H-pyrrol-1-yl)hexanamide?
The IUPAC name of N-(5,5-dimethylhexyl)-6-(5-oxo-2H-pyrrol-1-yl)hexanamide (CID 134403435) is N-(5,5-dimethylhexyl)-6-(5-oxo-2H-pyrrol-1-yl)hexanamide.
What is the SMILES notation for N-(5,5-dimethylhexyl)-6-(5-oxo-2H-pyrrol-1-yl)hexanamide?
The canonical SMILES for N-(5,5-dimethylhexyl)-6-(5-oxo-2H-pyrrol-1-yl)hexanamide is CC(C)(C)CCCCNC(=O)CCCCCN1CC=CC1=O.
What is the InChIKey of N-(5,5-dimethylhexyl)-6-(5-oxo-2H-pyrrol-1-yl)hexanamide?
The InChIKey is BEUHYZKLQUZLJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O2/c1-18(2,3)12-6-7-13-19-16(21)10-5-4-8-14-20-15-9-11-17(20)22/h9,11H,4-8,10,12-15H2,1-3H3,(H,19,21).
What are the key properties of N-(5,5-dimethylhexyl)-6-(5-oxo-2H-pyrrol-1-yl)hexanamide?
N-(5,5-dimethylhexyl)-6-(5-oxo-2H-pyrrol-1-yl)hexanamide has a molecular weight of 308.47 g/mol, XLogP of 3.28, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,5-dimethylhexyl)-6-(5-oxo-2H-pyrrol-1-yl)hexanamide is sourced from PubChem (CID 134403435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).