2,2-dimethyl-N-(2-propan-2-ylphenyl)-N'-(pyridin-2-ylmethyl)propanediamide

C20H25N3O2 — CID 108963400

IUPAC2,2-dimethyl-N-(2-propan-2-ylphenyl)-N'-(pyridin-2-ylmethyl)propanediamide
SMILESCC(C)c1ccccc1NC(=O)C(C)(C)C(=O)NCc1ccccn1
InChIInChI=1S/C20H25N3O2/c1-14(2)16-10-5-6-11-17(16)23-19(25)20(3,4)18(24)22-13-15-9-7-8-12-21-15/h5-12,14H,13H2,1-4H3,(H,22,24)(H,23,25)
InChIKeySYUZZBVJYAFSKS-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.49
Rot. Bonds6

About 2,2-dimethyl-N-(2-propan-2-ylphenyl)-N'-(pyridin-2-ylmethyl)propanediamide

2,2-dimethyl-N-(2-propan-2-ylphenyl)-N'-(pyridin-2-ylmethyl)propanediamide (PubChem CID 108963400) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 2,2-dimethyl-N-(2-propan-2-ylphenyl)-N'-(pyridin-2-ylmethyl)propanediamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(2-propan-2-ylphenyl)-N'-(pyridin-2-ylmethyl)propanediamide
PubChem CID108963400
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name2,2-dimethyl-N-(2-propan-2-ylphenyl)-N'-(pyridin-2-ylmethyl)propanediamide
SMILESCC(C)c1ccccc1NC(=O)C(C)(C)C(=O)NCc1ccccn1
InChIInChI=1S/C20H25N3O2/c1-14(2)16-10-5-6-11-17(16)23-19(25)20(3,4)18(24)22-13-15-9-7-8-12-21-15/h5-12,14H,13H2,1-4H3,(H,22,24)(H,23,25)
InChIKeySYUZZBVJYAFSKS-UHFFFAOYSA-N
XLogP3.49
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.49
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-(2-propan-2-ylphenyl)-N'-propylpropanediamide
CID 108957078
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
2,2-dimethyl-N-(2-propan-2-ylphenyl)-N'-quinolin-8-ylpropanediamide
CID 108968465
N-(4-ethylphenyl)-2,2-dimethyl-N'-(pyridin-2-ylmethyl)propanediamide
CID 108963397
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-benzyl-2,2-dimethyl-N-propan-2-yl-N'-(pyridin-2-ylmethyl)propanediamide
CID 108963371
2-(2,2-dimethylpropanoylamino)-N-(pyridin-2-ylmethyl)benzamide
CID 134110201
2,2-dimethyl-N-(pyridin-2-ylmethyl)-N'-(4-pyrrolidin-1-ylphenyl)propanediamide
CID 108963447
N-(2,6-dimethylphenyl)-2,2-dimethyl-N'-(2-propan-2-ylphenyl)propanediamide
CID 108968066

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(2-propan-2-ylphenyl)-N'-(pyridin-2-ylmethyl)propanediamide?
The IUPAC name of 2,2-dimethyl-N-(2-propan-2-ylphenyl)-N'-(pyridin-2-ylmethyl)propanediamide (CID 108963400) is 2,2-dimethyl-N-(2-propan-2-ylphenyl)-N'-(pyridin-2-ylmethyl)propanediamide.
What is the SMILES notation for 2,2-dimethyl-N-(2-propan-2-ylphenyl)-N'-(pyridin-2-ylmethyl)propanediamide?
The canonical SMILES for 2,2-dimethyl-N-(2-propan-2-ylphenyl)-N'-(pyridin-2-ylmethyl)propanediamide is CC(C)c1ccccc1NC(=O)C(C)(C)C(=O)NCc1ccccn1.
What is the InChIKey of 2,2-dimethyl-N-(2-propan-2-ylphenyl)-N'-(pyridin-2-ylmethyl)propanediamide?
The InChIKey is SYUZZBVJYAFSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-14(2)16-10-5-6-11-17(16)23-19(25)20(3,4)18(24)22-13-15-9-7-8-12-21-15/h5-12,14H,13H2,1-4H3,(H,22,24)(H,23,25).
What are the key properties of 2,2-dimethyl-N-(2-propan-2-ylphenyl)-N'-(pyridin-2-ylmethyl)propanediamide?
2,2-dimethyl-N-(2-propan-2-ylphenyl)-N'-(pyridin-2-ylmethyl)propanediamide has a molecular weight of 339.44 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(2-propan-2-ylphenyl)-N'-(pyridin-2-ylmethyl)propanediamide is sourced from PubChem (CID 108963400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).