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

C19H23N3O2 — CID 108963643

IUPAC2,2-dimethyl-N-(2-phenylethyl)-N'-(pyridin-4-ylmethyl)propanediamide
SMILESCC(C)(C(=O)NCCc1ccccc1)C(=O)NCc1ccncc1
InChIInChI=1S/C19H23N3O2/c1-19(2,18(24)22-14-16-8-11-20-12-9-16)17(23)21-13-10-15-6-4-3-5-7-15/h3-9,11-12H,10,13-14H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyTTZVOZQRMVPTIJ-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.08
Rot. Bonds7

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

2,2-dimethyl-N-(2-phenylethyl)-N'-(pyridin-4-ylmethyl)propanediamide (PubChem CID 108963643) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2,2-dimethyl-N-(2-phenylethyl)-N'-(pyridin-4-ylmethyl)propanediamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(2-phenylethyl)-N'-(pyridin-4-ylmethyl)propanediamide
PubChem CID108963643
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name2,2-dimethyl-N-(2-phenylethyl)-N'-(pyridin-4-ylmethyl)propanediamide
SMILESCC(C)(C(=O)NCCc1ccccc1)C(=O)NCc1ccncc1
InChIInChI=1S/C19H23N3O2/c1-19(2,18(24)22-14-16-8-11-20-12-9-16)17(23)21-13-10-15-6-4-3-5-7-15/h3-9,11-12H,10,13-14H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyTTZVOZQRMVPTIJ-UHFFFAOYSA-N
XLogP2.08
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.08
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-phenyl-N'-(pyridin-4-ylmethyl)propanediamide
CID 108963689
N-[2-(3,4-dimethoxyphenyl)ethyl]-2,2-dimethyl-N'-(pyridin-4-ylmethyl)propanediamide
CID 108963657
2,2-dimethyl-N-[(4-methylphenyl)methyl]-N'-(pyridin-4-ylmethyl)propanediamide
CID 108961964
2-bromo-2-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 82110489
N-[2-(4-chlorophenyl)ethyl]-2,2-dimethyl-N'-(2-phenylethyl)propanediamide
CID 108963810
2,2-dimethyl-N-(3-methylbutyl)-N'-(2-phenylethyl)propanediamide
CID 108963827
3-amino-3-hydroxyimino-2,2-dimethyl-N-(2-pyridin-4-ylethyl)propanamide
CID 76920821
1-(2-phenylethyl)-3-(pyridin-4-ylmethyl)thiourea
CID 4968462
2,2-dimethyl-N-(4-phenoxyphenyl)-N'-(pyridin-4-ylmethyl)propanediamide
CID 108963759
N-benzyl-N'-tert-butyl-2,2-dimethylpropanediamide
CID 108961541
2-hydroxy-2-methyl-N-(2-phenylethyl)propanamide
CID 71525164
N-(2,6-difluorophenyl)-2,2-dimethyl-N'-(pyridin-4-ylmethyl)propanediamide
CID 108963792

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(2-phenylethyl)-N'-(pyridin-4-ylmethyl)propanediamide?
The IUPAC name of 2,2-dimethyl-N-(2-phenylethyl)-N'-(pyridin-4-ylmethyl)propanediamide (CID 108963643) is 2,2-dimethyl-N-(2-phenylethyl)-N'-(pyridin-4-ylmethyl)propanediamide.
What is the SMILES notation for 2,2-dimethyl-N-(2-phenylethyl)-N'-(pyridin-4-ylmethyl)propanediamide?
The canonical SMILES for 2,2-dimethyl-N-(2-phenylethyl)-N'-(pyridin-4-ylmethyl)propanediamide is CC(C)(C(=O)NCCc1ccccc1)C(=O)NCc1ccncc1.
What is the InChIKey of 2,2-dimethyl-N-(2-phenylethyl)-N'-(pyridin-4-ylmethyl)propanediamide?
The InChIKey is TTZVOZQRMVPTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-19(2,18(24)22-14-16-8-11-20-12-9-16)17(23)21-13-10-15-6-4-3-5-7-15/h3-9,11-12H,10,13-14H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 2,2-dimethyl-N-(2-phenylethyl)-N'-(pyridin-4-ylmethyl)propanediamide?
2,2-dimethyl-N-(2-phenylethyl)-N'-(pyridin-4-ylmethyl)propanediamide has a molecular weight of 325.41 g/mol, XLogP of 2.08, 7 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-phenylethyl)-N'-(pyridin-4-ylmethyl)propanediamide is sourced from PubChem (CID 108963643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).