N-ethyl-2,2-dimethyl-N-phenyl-N'-(pyridin-2-ylmethyl)propanediamide

C19H23N3O2 — CID 108963398

IUPACN-ethyl-2,2-dimethyl-N-phenyl-N'-(pyridin-2-ylmethyl)propanediamide
SMILESCCN(C(=O)C(C)(C)C(=O)NCc1ccccn1)c1ccccc1
InChIInChI=1S/C19H23N3O2/c1-4-22(16-11-6-5-7-12-16)18(24)19(2,3)17(23)21-14-15-10-8-9-13-20-15/h5-13H,4,14H2,1-3H3,(H,21,23)
InChIKeyJEPMLUKGWKBOSB-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.78
Rot. Bonds6

About N-ethyl-2,2-dimethyl-N-phenyl-N'-(pyridin-2-ylmethyl)propanediamide

N-ethyl-2,2-dimethyl-N-phenyl-N'-(pyridin-2-ylmethyl)propanediamide (PubChem CID 108963398) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-ethyl-2,2-dimethyl-N-phenyl-N'-(pyridin-2-ylmethyl)propanediamide.

Molecular Properties

Compound NameN-ethyl-2,2-dimethyl-N-phenyl-N'-(pyridin-2-ylmethyl)propanediamide
PubChem CID108963398
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN-ethyl-2,2-dimethyl-N-phenyl-N'-(pyridin-2-ylmethyl)propanediamide
SMILESCCN(C(=O)C(C)(C)C(=O)NCc1ccccn1)c1ccccc1
InChIInChI=1S/C19H23N3O2/c1-4-22(16-11-6-5-7-12-16)18(24)19(2,3)17(23)21-14-15-10-8-9-13-20-15/h5-13H,4,14H2,1-3H3,(H,21,23)
InChIKeyJEPMLUKGWKBOSB-UHFFFAOYSA-N
XLogP2.78
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze N-ethyl-2,2-dimethyl-N-phenyl-N'-(pyridin-2-ylmethyl)propanediamide 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

2,2-dimethyl-N,N'-bis(pyridin-2-ylmethyl)propanediamide
CID 108963334
N-benzyl-2,2-dimethyl-N-propan-2-yl-N'-(pyridin-2-ylmethyl)propanediamide
CID 108963371
2,2-dimethyl-N-[(4-methylphenyl)methyl]-N'-(pyridin-2-ylmethyl)propanediamide
CID 108961962
2,2-dimethyl-N-(1-phenylethyl)-N'-(pyridin-2-ylmethyl)propanediamide
CID 108962105
N-(4-ethylphenyl)-2,2-dimethyl-N'-(pyridin-2-ylmethyl)propanediamide
CID 108963397
2-[ethyl(pyridin-2-ylmethylcarbamoyl)amino]acetic acid
CID 61191924
2,2,3,3-tetrafluoro-N,N'-bis(pyridin-2-ylmethyl)butanediamide
CID 2164897
2,2,2-trifluoro-N-(pyridin-2-ylmethyl)acetamide
CID 4159002
2-[tert-butyl(pyridin-2-ylmethylcarbamoyl)amino]acetic acid
CID 79256586
N-ethyl-2,2-dimethyl-N-phenylpropanamide
CID 4127582
2,2-dimethyl-3-morpholin-4-yl-3-oxo-N-(pyridin-2-ylmethyl)propanamide
CID 108959830
N-(3,5-dichlorophenyl)-2,2-dimethyl-N'-(pyridin-2-ylmethyl)propanediamide
CID 108963474

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2-dimethyl-N-phenyl-N'-(pyridin-2-ylmethyl)propanediamide?
The IUPAC name of N-ethyl-2,2-dimethyl-N-phenyl-N'-(pyridin-2-ylmethyl)propanediamide (CID 108963398) is N-ethyl-2,2-dimethyl-N-phenyl-N'-(pyridin-2-ylmethyl)propanediamide.
What is the SMILES notation for N-ethyl-2,2-dimethyl-N-phenyl-N'-(pyridin-2-ylmethyl)propanediamide?
The canonical SMILES for N-ethyl-2,2-dimethyl-N-phenyl-N'-(pyridin-2-ylmethyl)propanediamide is CCN(C(=O)C(C)(C)C(=O)NCc1ccccn1)c1ccccc1.
What is the InChIKey of N-ethyl-2,2-dimethyl-N-phenyl-N'-(pyridin-2-ylmethyl)propanediamide?
The InChIKey is JEPMLUKGWKBOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-4-22(16-11-6-5-7-12-16)18(24)19(2,3)17(23)21-14-15-10-8-9-13-20-15/h5-13H,4,14H2,1-3H3,(H,21,23).
What are the key properties of N-ethyl-2,2-dimethyl-N-phenyl-N'-(pyridin-2-ylmethyl)propanediamide?
N-ethyl-2,2-dimethyl-N-phenyl-N'-(pyridin-2-ylmethyl)propanediamide has a molecular weight of 325.41 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2-dimethyl-N-phenyl-N'-(pyridin-2-ylmethyl)propanediamide is sourced from PubChem (CID 108963398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).