2-methyl-N-(3-methyl-3-propan-2-yloctyl)propanamide

C16H33NO — CID 126626622

IUPAC2-methyl-N-(3-methyl-3-propan-2-yloctyl)propanamide
SMILESCCCCCC(C)(CCNC(=O)C(C)C)C(C)C
InChIInChI=1S/C16H33NO/c1-7-8-9-10-16(6,14(4)5)11-12-17-15(18)13(2)3/h13-14H,7-12H2,1-6H3,(H,17,18)
InChIKeyJCHYKDITWKWNJT-UHFFFAOYSA-N
MW255.45 g/mol
LogP4.39
Rot. Bonds9

About 2-methyl-N-(3-methyl-3-propan-2-yloctyl)propanamide

2-methyl-N-(3-methyl-3-propan-2-yloctyl)propanamide (PubChem CID 126626622) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is 2-methyl-N-(3-methyl-3-propan-2-yloctyl)propanamide.

Molecular Properties

Compound Name2-methyl-N-(3-methyl-3-propan-2-yloctyl)propanamide
PubChem CID126626622
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC Name2-methyl-N-(3-methyl-3-propan-2-yloctyl)propanamide
SMILESCCCCCC(C)(CCNC(=O)C(C)C)C(C)C
InChIInChI=1S/C16H33NO/c1-7-8-9-10-16(6,14(4)5)11-12-17-15(18)13(2)3/h13-14H,7-12H2,1-6H3,(H,17,18)
InChIKeyJCHYKDITWKWNJT-UHFFFAOYSA-N
XLogP4.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-methyl-N-(3-methyl-3-propan-2-yloctyl)propanamide with MolForge

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

Launch Full Analysis

Related Compounds

6-methyl-6-propan-2-ylundecane
CID 87930599
(5S)-5-methyl-5-propan-2-ylnonan-2-one
CID 157356592
3-ethyl-2,3-dimethylnonane
CID 57490996
3-ethyl-2,3-dimethyldecane
CID 57491701
2-methyl-2-propan-2-yl-N-propyloctan-1-amine
CID 83159495
N,2-dimethyl-2-propan-2-yloctan-1-amine
CID 83159293
N-tert-butyl-2-methyl-2-propan-2-ylheptan-1-amine
CID 83150707
N-tert-butyl-2-methyl-2-propan-2-yldecan-1-amine
CID 83151435
3-methyl-3-propyloctan-2-ol
CID 20501793
(2S)-2-amino-N-[2-(2-methylpropanoylamino)ethyl]hexanamide
CID 103831039
N-(2-ethyl-2-methylpentyl)-2-methylpropanamide
CID 89177449
N-butyl-2-methylpropanamide;N-tert-butyl-2-methylpropanamide;N,2-dimethylpropanamide;methane;2-methyl-N-propylpropanamide
CID 159998145

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-methyl-3-propan-2-yloctyl)propanamide?
The IUPAC name of 2-methyl-N-(3-methyl-3-propan-2-yloctyl)propanamide (CID 126626622) is 2-methyl-N-(3-methyl-3-propan-2-yloctyl)propanamide.
What is the SMILES notation for 2-methyl-N-(3-methyl-3-propan-2-yloctyl)propanamide?
The canonical SMILES for 2-methyl-N-(3-methyl-3-propan-2-yloctyl)propanamide is CCCCCC(C)(CCNC(=O)C(C)C)C(C)C.
What is the InChIKey of 2-methyl-N-(3-methyl-3-propan-2-yloctyl)propanamide?
The InChIKey is JCHYKDITWKWNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-7-8-9-10-16(6,14(4)5)11-12-17-15(18)13(2)3/h13-14H,7-12H2,1-6H3,(H,17,18).
What are the key properties of 2-methyl-N-(3-methyl-3-propan-2-yloctyl)propanamide?
2-methyl-N-(3-methyl-3-propan-2-yloctyl)propanamide has a molecular weight of 255.45 g/mol, XLogP of 4.39, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-methyl-3-propan-2-yloctyl)propanamide is sourced from PubChem (CID 126626622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).