N-(2,2,7,7-tetramethyloctan-3-yl)propanamide

C15H31NO — CID 90347364

IUPACN-(2,2,7,7-tetramethyloctan-3-yl)propanamide
SMILESCCC(=O)NC(CCCC(C)(C)C)C(C)(C)C
InChIInChI=1S/C15H31NO/c1-8-13(17)16-12(15(5,6)7)10-9-11-14(2,3)4/h12H,8-11H2,1-7H3,(H,16,17)
InChIKeyHHGNXCIOOOJRBI-UHFFFAOYSA-N
MW241.42 g/mol
LogP4.14
Rot. Bonds5

About N-(2,2,7,7-tetramethyloctan-3-yl)propanamide

N-(2,2,7,7-tetramethyloctan-3-yl)propanamide (PubChem CID 90347364) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is N-(2,2,7,7-tetramethyloctan-3-yl)propanamide.

Molecular Properties

Compound NameN-(2,2,7,7-tetramethyloctan-3-yl)propanamide
PubChem CID90347364
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC NameN-(2,2,7,7-tetramethyloctan-3-yl)propanamide
SMILESCCC(=O)NC(CCCC(C)(C)C)C(C)(C)C
InChIInChI=1S/C15H31NO/c1-8-13(17)16-12(15(5,6)7)10-9-11-14(2,3)4/h12H,8-11H2,1-7H3,(H,16,17)
InChIKeyHHGNXCIOOOJRBI-UHFFFAOYSA-N
XLogP4.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(2,2,7,7-tetramethyloctan-3-yl)propanamide 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-(2,2,7,7-tetramethyloctan-3-yl)propanamide?
The IUPAC name of N-(2,2,7,7-tetramethyloctan-3-yl)propanamide (CID 90347364) is N-(2,2,7,7-tetramethyloctan-3-yl)propanamide.
What is the SMILES notation for N-(2,2,7,7-tetramethyloctan-3-yl)propanamide?
The canonical SMILES for N-(2,2,7,7-tetramethyloctan-3-yl)propanamide is CCC(=O)NC(CCCC(C)(C)C)C(C)(C)C.
What is the InChIKey of N-(2,2,7,7-tetramethyloctan-3-yl)propanamide?
The InChIKey is HHGNXCIOOOJRBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-8-13(17)16-12(15(5,6)7)10-9-11-14(2,3)4/h12H,8-11H2,1-7H3,(H,16,17).
What are the key properties of N-(2,2,7,7-tetramethyloctan-3-yl)propanamide?
N-(2,2,7,7-tetramethyloctan-3-yl)propanamide has a molecular weight of 241.42 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,7,7-tetramethyloctan-3-yl)propanamide is sourced from PubChem (CID 90347364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).