2,2-dimethyl-N-(1-phenylethyl)-N'-(pyridin-2-ylmethyl)propanediamide

C19H23N3O2 — CID 108962105

IUPAC2,2-dimethyl-N-(1-phenylethyl)-N'-(pyridin-2-ylmethyl)propanediamide
SMILESCC(NC(=O)C(C)(C)C(=O)NCc1ccccn1)c1ccccc1
InChIInChI=1S/C19H23N3O2/c1-14(15-9-5-4-6-10-15)22-18(24)19(2,3)17(23)21-13-16-11-7-8-12-20-16/h4-12,14H,13H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyYLWHPKOHVBFACR-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.60
Rot. Bonds6

About 2,2-dimethyl-N-(1-phenylethyl)-N'-(pyridin-2-ylmethyl)propanediamide

2,2-dimethyl-N-(1-phenylethyl)-N'-(pyridin-2-ylmethyl)propanediamide (PubChem CID 108962105) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2,2-dimethyl-N-(1-phenylethyl)-N'-(pyridin-2-ylmethyl)propanediamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(1-phenylethyl)-N'-(pyridin-2-ylmethyl)propanediamide
PubChem CID108962105
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name2,2-dimethyl-N-(1-phenylethyl)-N'-(pyridin-2-ylmethyl)propanediamide
SMILESCC(NC(=O)C(C)(C)C(=O)NCc1ccccn1)c1ccccc1
InChIInChI=1S/C19H23N3O2/c1-14(15-9-5-4-6-10-15)22-18(24)19(2,3)17(23)21-13-16-11-7-8-12-20-16/h4-12,14H,13H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyYLWHPKOHVBFACR-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
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
N'-(1-phenylethyl)-N-(pyridin-2-ylmethyl)oxamide
CID 3136532
2,2-dimethyl-N-(2-propan-2-ylphenyl)-N'-(pyridin-2-ylmethyl)propanediamide
CID 108963400
2,2-dimethyl-N-[(4-methylphenyl)methyl]-N'-(pyridin-2-ylmethyl)propanediamide
CID 108961962
1-(1-phenylethyl)-3-(2-pyridin-2-ylethyl)urea
CID 47134004
N-benzyl-2,2-dimethyl-N-propan-2-yl-N'-(pyridin-2-ylmethyl)propanediamide
CID 108963371
N-ethyl-2,2-dimethyl-N-phenyl-N'-(pyridin-2-ylmethyl)propanediamide
CID 108963398
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
N-[(3,4-dimethoxyphenyl)methyl]-2,2-dimethyl-N'-(1-phenylethyl)propanediamide
CID 108962124
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

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(1-phenylethyl)-N'-(pyridin-2-ylmethyl)propanediamide?
The IUPAC name of 2,2-dimethyl-N-(1-phenylethyl)-N'-(pyridin-2-ylmethyl)propanediamide (CID 108962105) is 2,2-dimethyl-N-(1-phenylethyl)-N'-(pyridin-2-ylmethyl)propanediamide.
What is the SMILES notation for 2,2-dimethyl-N-(1-phenylethyl)-N'-(pyridin-2-ylmethyl)propanediamide?
The canonical SMILES for 2,2-dimethyl-N-(1-phenylethyl)-N'-(pyridin-2-ylmethyl)propanediamide is CC(NC(=O)C(C)(C)C(=O)NCc1ccccn1)c1ccccc1.
What is the InChIKey of 2,2-dimethyl-N-(1-phenylethyl)-N'-(pyridin-2-ylmethyl)propanediamide?
The InChIKey is YLWHPKOHVBFACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-14(15-9-5-4-6-10-15)22-18(24)19(2,3)17(23)21-13-16-11-7-8-12-20-16/h4-12,14H,13H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of 2,2-dimethyl-N-(1-phenylethyl)-N'-(pyridin-2-ylmethyl)propanediamide?
2,2-dimethyl-N-(1-phenylethyl)-N'-(pyridin-2-ylmethyl)propanediamide has a molecular weight of 325.41 g/mol, XLogP of 2.60, 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-(1-phenylethyl)-N'-(pyridin-2-ylmethyl)propanediamide is sourced from PubChem (CID 108962105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).