N-(3,4-dihydropyridin-4-ylmethyl)-2,2-dimethylhexanamide

C14H24N2O — CID 134570627

IUPACN-(3,4-dihydropyridin-4-ylmethyl)-2,2-dimethylhexanamide
SMILESCCCCC(C)(C)C(=O)NCC1C=CN=CC1
InChIInChI=1S/C14H24N2O/c1-4-5-8-14(2,3)13(17)16-11-12-6-9-15-10-7-12/h6,9-10,12H,4-5,7-8,11H2,1-3H3,(H,16,17)
InChIKeyALLHNFSZKCEAFJ-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.92
Rot. Bonds6

About N-(3,4-dihydropyridin-4-ylmethyl)-2,2-dimethylhexanamide

N-(3,4-dihydropyridin-4-ylmethyl)-2,2-dimethylhexanamide (PubChem CID 134570627) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N-(3,4-dihydropyridin-4-ylmethyl)-2,2-dimethylhexanamide.

Molecular Properties

Compound NameN-(3,4-dihydropyridin-4-ylmethyl)-2,2-dimethylhexanamide
PubChem CID134570627
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN-(3,4-dihydropyridin-4-ylmethyl)-2,2-dimethylhexanamide
SMILESCCCCC(C)(C)C(=O)NCC1C=CN=CC1
InChIInChI=1S/C14H24N2O/c1-4-5-8-14(2,3)13(17)16-11-12-6-9-15-10-7-12/h6,9-10,12H,4-5,7-8,11H2,1-3H3,(H,16,17)
InChIKeyALLHNFSZKCEAFJ-UHFFFAOYSA-N
XLogP2.92
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(3,4-dihydropyridin-4-ylmethyl)-2,2-dimethylhexanamide 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-(3,4-dihydropyridin-4-ylmethyl)-2,2-dimethylhexanamide?
The IUPAC name of N-(3,4-dihydropyridin-4-ylmethyl)-2,2-dimethylhexanamide (CID 134570627) is N-(3,4-dihydropyridin-4-ylmethyl)-2,2-dimethylhexanamide.
What is the SMILES notation for N-(3,4-dihydropyridin-4-ylmethyl)-2,2-dimethylhexanamide?
The canonical SMILES for N-(3,4-dihydropyridin-4-ylmethyl)-2,2-dimethylhexanamide is CCCCC(C)(C)C(=O)NCC1C=CN=CC1.
What is the InChIKey of N-(3,4-dihydropyridin-4-ylmethyl)-2,2-dimethylhexanamide?
The InChIKey is ALLHNFSZKCEAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-4-5-8-14(2,3)13(17)16-11-12-6-9-15-10-7-12/h6,9-10,12H,4-5,7-8,11H2,1-3H3,(H,16,17).
What are the key properties of N-(3,4-dihydropyridin-4-ylmethyl)-2,2-dimethylhexanamide?
N-(3,4-dihydropyridin-4-ylmethyl)-2,2-dimethylhexanamide has a molecular weight of 236.36 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydropyridin-4-ylmethyl)-2,2-dimethylhexanamide is sourced from PubChem (CID 134570627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).