N-(4-ethylphenyl)-2,2-dimethyl-N'-(pyridin-2-ylmethyl)propanediamide

C19H23N3O2 — CID 108963397

IUPACN-(4-ethylphenyl)-2,2-dimethyl-N'-(pyridin-2-ylmethyl)propanediamide
SMILESCCc1ccc(NC(=O)C(C)(C)C(=O)NCc2ccccn2)cc1
InChIInChI=1S/C19H23N3O2/c1-4-14-8-10-15(11-9-14)22-18(24)19(2,3)17(23)21-13-16-7-5-6-12-20-16/h5-12H,4,13H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyJCXKRLBRVAGMMI-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.93
Rot. Bonds6

About N-(4-ethylphenyl)-2,2-dimethyl-N'-(pyridin-2-ylmethyl)propanediamide

N-(4-ethylphenyl)-2,2-dimethyl-N'-(pyridin-2-ylmethyl)propanediamide (PubChem CID 108963397) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2,2-dimethyl-N'-(pyridin-2-ylmethyl)propanediamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2,2-dimethyl-N'-(pyridin-2-ylmethyl)propanediamide
PubChem CID108963397
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN-(4-ethylphenyl)-2,2-dimethyl-N'-(pyridin-2-ylmethyl)propanediamide
SMILESCCc1ccc(NC(=O)C(C)(C)C(=O)NCc2ccccn2)cc1
InChIInChI=1S/C19H23N3O2/c1-4-14-8-10-15(11-9-14)22-18(24)19(2,3)17(23)21-13-16-7-5-6-12-20-16/h5-12H,4,13H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyJCXKRLBRVAGMMI-UHFFFAOYSA-N
XLogP2.93
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-N,N'-bis(pyridin-2-ylmethyl)propanediamide
CID 108963334
2,2-dimethyl-N-(pyridin-2-ylmethyl)-N'-(4-pyrrolidin-1-ylphenyl)propanediamide
CID 108963447
N-(3,5-dichlorophenyl)-2,2-dimethyl-N'-(pyridin-2-ylmethyl)propanediamide
CID 108963474
2,2-dimethyl-N-[(4-methylphenyl)methyl]-N'-(pyridin-2-ylmethyl)propanediamide
CID 108961962
N-[(4-chlorophenyl)methyl]-N'-(4-ethylphenyl)-2,2-dimethylpropanediamide
CID 108962820
2,2-dimethyl-N-(2-propan-2-ylphenyl)-N'-(pyridin-2-ylmethyl)propanediamide
CID 108963400
N-(4-chloro-2-methylphenyl)-2,2-dimethyl-N'-(pyridin-2-ylmethyl)propanediamide
CID 108963414
2,2-dimethyl-N-(1-phenylethyl)-N'-(pyridin-2-ylmethyl)propanediamide
CID 108962105
N-ethyl-2,2-dimethyl-N-phenyl-N'-(pyridin-2-ylmethyl)propanediamide
CID 108963398
2-(4-ethylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide
CID 109258580
N-(4-ethylphenyl)-2,2-dimethyl-N'-pentylpropanediamide
CID 108966385
2,2-dimethyl-3-morpholin-4-yl-3-oxo-N-(pyridin-2-ylmethyl)propanamide
CID 108959830

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2,2-dimethyl-N'-(pyridin-2-ylmethyl)propanediamide?
The IUPAC name of N-(4-ethylphenyl)-2,2-dimethyl-N'-(pyridin-2-ylmethyl)propanediamide (CID 108963397) is N-(4-ethylphenyl)-2,2-dimethyl-N'-(pyridin-2-ylmethyl)propanediamide.
What is the SMILES notation for N-(4-ethylphenyl)-2,2-dimethyl-N'-(pyridin-2-ylmethyl)propanediamide?
The canonical SMILES for N-(4-ethylphenyl)-2,2-dimethyl-N'-(pyridin-2-ylmethyl)propanediamide is CCc1ccc(NC(=O)C(C)(C)C(=O)NCc2ccccn2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2,2-dimethyl-N'-(pyridin-2-ylmethyl)propanediamide?
The InChIKey is JCXKRLBRVAGMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-4-14-8-10-15(11-9-14)22-18(24)19(2,3)17(23)21-13-16-7-5-6-12-20-16/h5-12H,4,13H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of N-(4-ethylphenyl)-2,2-dimethyl-N'-(pyridin-2-ylmethyl)propanediamide?
N-(4-ethylphenyl)-2,2-dimethyl-N'-(pyridin-2-ylmethyl)propanediamide has a molecular weight of 325.41 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2,2-dimethyl-N'-(pyridin-2-ylmethyl)propanediamide is sourced from PubChem (CID 108963397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).