N-[(4-butyl-3,4-dihydropyridin-5-yl)methyl]-2,2-dimethylpropanamide

C15H26N2O — CID 134859576

IUPACN-[(4-butyl-3,4-dihydropyridin-5-yl)methyl]-2,2-dimethylpropanamide
SMILESCCCCC1CC=NC=C1CNC(=O)C(C)(C)C
InChIInChI=1S/C15H26N2O/c1-5-6-7-12-8-9-16-10-13(12)11-17-14(18)15(2,3)4/h9-10,12H,5-8,11H2,1-4H3,(H,17,18)
InChIKeyLRRAABPPHQLFJF-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.31
Rot. Bonds5

About N-[(4-butyl-3,4-dihydropyridin-5-yl)methyl]-2,2-dimethylpropanamide

N-[(4-butyl-3,4-dihydropyridin-5-yl)methyl]-2,2-dimethylpropanamide (PubChem CID 134859576) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N-[(4-butyl-3,4-dihydropyridin-5-yl)methyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(4-butyl-3,4-dihydropyridin-5-yl)methyl]-2,2-dimethylpropanamide
PubChem CID134859576
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN-[(4-butyl-3,4-dihydropyridin-5-yl)methyl]-2,2-dimethylpropanamide
SMILESCCCCC1CC=NC=C1CNC(=O)C(C)(C)C
InChIInChI=1S/C15H26N2O/c1-5-6-7-12-8-9-16-10-13(12)11-17-14(18)15(2,3)4/h9-10,12H,5-8,11H2,1-4H3,(H,17,18)
InChIKeyLRRAABPPHQLFJF-UHFFFAOYSA-N
XLogP3.31
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(4-butyl-3,4-dihydropyridin-5-yl)methyl]-2,2-dimethylpropanamide 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

lithium N-[(4-butyl-3,4-dihydropyridin-3-id-5-yl)methyl]-2,2-dimethylpropanamide
CID 134859575
N-[2-(4,5-dihydro-3H-azepin-6-yl)ethyl]acetamide
CID 90940234
N-(4,4-dimethylpentyl)-3-methyl-3,4-dihydropyridine-5-carboxamide
CID 130272362

Frequently Asked Questions

What is the IUPAC name of N-[(4-butyl-3,4-dihydropyridin-5-yl)methyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[(4-butyl-3,4-dihydropyridin-5-yl)methyl]-2,2-dimethylpropanamide (CID 134859576) is N-[(4-butyl-3,4-dihydropyridin-5-yl)methyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[(4-butyl-3,4-dihydropyridin-5-yl)methyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[(4-butyl-3,4-dihydropyridin-5-yl)methyl]-2,2-dimethylpropanamide is CCCCC1CC=NC=C1CNC(=O)C(C)(C)C.
What is the InChIKey of N-[(4-butyl-3,4-dihydropyridin-5-yl)methyl]-2,2-dimethylpropanamide?
The InChIKey is LRRAABPPHQLFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-5-6-7-12-8-9-16-10-13(12)11-17-14(18)15(2,3)4/h9-10,12H,5-8,11H2,1-4H3,(H,17,18).
What are the key properties of N-[(4-butyl-3,4-dihydropyridin-5-yl)methyl]-2,2-dimethylpropanamide?
N-[(4-butyl-3,4-dihydropyridin-5-yl)methyl]-2,2-dimethylpropanamide has a molecular weight of 250.39 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-butyl-3,4-dihydropyridin-5-yl)methyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 134859576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).