2-methyl-N-(3-methylbutyl)-N-propylpropanamide

C12H25NO — CID 166945550

IUPAC2-methyl-N-(3-methylbutyl)-N-propylpropanamide
SMILESCCCN(CCC(C)C)C(=O)C(C)C
InChIInChI=1S/C12H25NO/c1-6-8-13(9-7-10(2)3)12(14)11(4)5/h10-11H,6-9H2,1-5H3
InChIKeyBUHPBXLRHLHRED-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.93
Rot. Bonds6

About 2-methyl-N-(3-methylbutyl)-N-propylpropanamide

2-methyl-N-(3-methylbutyl)-N-propylpropanamide (PubChem CID 166945550) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 2-methyl-N-(3-methylbutyl)-N-propylpropanamide.

Molecular Properties

Compound Name2-methyl-N-(3-methylbutyl)-N-propylpropanamide
PubChem CID166945550
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name2-methyl-N-(3-methylbutyl)-N-propylpropanamide
SMILESCCCN(CCC(C)C)C(=O)C(C)C
InChIInChI=1S/C12H25NO/c1-6-8-13(9-7-10(2)3)12(14)11(4)5/h10-11H,6-9H2,1-5H3
InChIKeyBUHPBXLRHLHRED-UHFFFAOYSA-N
XLogP2.93
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-methyl-N-(3-methylbutyl)-N-propylpropanamide 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 2-methyl-N-(3-methylbutyl)-N-propylpropanamide?
The IUPAC name of 2-methyl-N-(3-methylbutyl)-N-propylpropanamide (CID 166945550) is 2-methyl-N-(3-methylbutyl)-N-propylpropanamide.
What is the SMILES notation for 2-methyl-N-(3-methylbutyl)-N-propylpropanamide?
The canonical SMILES for 2-methyl-N-(3-methylbutyl)-N-propylpropanamide is CCCN(CCC(C)C)C(=O)C(C)C.
What is the InChIKey of 2-methyl-N-(3-methylbutyl)-N-propylpropanamide?
The InChIKey is BUHPBXLRHLHRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-6-8-13(9-7-10(2)3)12(14)11(4)5/h10-11H,6-9H2,1-5H3.
What are the key properties of 2-methyl-N-(3-methylbutyl)-N-propylpropanamide?
2-methyl-N-(3-methylbutyl)-N-propylpropanamide has a molecular weight of 199.34 g/mol, XLogP of 2.93, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-methylbutyl)-N-propylpropanamide is sourced from PubChem (CID 166945550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).