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

C23H23N3O3 — CID 108963759

IUPAC2,2-dimethyl-N-(4-phenoxyphenyl)-N'-(pyridin-4-ylmethyl)propanediamide
SMILESCC(C)(C(=O)NCc1ccncc1)C(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C23H23N3O3/c1-23(2,21(27)25-16-17-12-14-24-15-13-17)22(28)26-18-8-10-20(11-9-18)29-19-6-4-3-5-7-19/h3-15H,16H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyKVPWPTFRQKFKLA-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.16
Rot. Bonds7

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

2,2-dimethyl-N-(4-phenoxyphenyl)-N'-(pyridin-4-ylmethyl)propanediamide (PubChem CID 108963759) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is 2,2-dimethyl-N-(4-phenoxyphenyl)-N'-(pyridin-4-ylmethyl)propanediamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(4-phenoxyphenyl)-N'-(pyridin-4-ylmethyl)propanediamide
PubChem CID108963759
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name2,2-dimethyl-N-(4-phenoxyphenyl)-N'-(pyridin-4-ylmethyl)propanediamide
SMILESCC(C)(C(=O)NCc1ccncc1)C(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C23H23N3O3/c1-23(2,21(27)25-16-17-12-14-24-15-13-17)22(28)26-18-8-10-20(11-9-18)29-19-6-4-3-5-7-19/h3-15H,16H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyKVPWPTFRQKFKLA-UHFFFAOYSA-N
XLogP4.16
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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
2,2-dimethyl-N-(4-propan-2-yloxyphenyl)-N'-(pyridin-4-ylmethyl)propanediamide
CID 108963735
2,2-dimethyl-N-(pyridin-4-ylmethyl)-N'-[4-(trifluoromethyl)phenyl]propanediamide
CID 108963741
N-[4-(dimethylamino)phenyl]-2,2-dimethyl-N'-(pyridin-4-ylmethyl)propanediamide
CID 108963751
N-(3-bromophenyl)-2,2-dimethyl-N'-(pyridin-4-ylmethyl)propanediamide
CID 108963762
2,2-dimethyl-N-(2-phenylethyl)-N'-(pyridin-4-ylmethyl)propanediamide
CID 108963643
2,2-dimethyl-N-(4-piperidin-1-ylphenyl)-N'-(pyridin-4-ylmethyl)propanediamide
CID 108963754
N-(2,6-difluorophenyl)-2,2-dimethyl-N'-(pyridin-4-ylmethyl)propanediamide
CID 108963792
2,2-dimethyl-N-[(4-methylphenyl)methyl]-N'-(pyridin-4-ylmethyl)propanediamide
CID 108961964
N-(4-acetylphenyl)-N'-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanediamide
CID 108963093
N-[2,6-di(propan-2-yl)phenyl]-2,2-dimethyl-N'-(pyridin-4-ylmethyl)propanediamide
CID 108963768
N-(3,4-dichlorophenyl)-2,2-dimethyl-N'-(pyridin-3-ylmethyl)propanediamide
CID 108963625

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(4-phenoxyphenyl)-N'-(pyridin-4-ylmethyl)propanediamide?
The IUPAC name of 2,2-dimethyl-N-(4-phenoxyphenyl)-N'-(pyridin-4-ylmethyl)propanediamide (CID 108963759) is 2,2-dimethyl-N-(4-phenoxyphenyl)-N'-(pyridin-4-ylmethyl)propanediamide.
What is the SMILES notation for 2,2-dimethyl-N-(4-phenoxyphenyl)-N'-(pyridin-4-ylmethyl)propanediamide?
The canonical SMILES for 2,2-dimethyl-N-(4-phenoxyphenyl)-N'-(pyridin-4-ylmethyl)propanediamide is CC(C)(C(=O)NCc1ccncc1)C(=O)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2,2-dimethyl-N-(4-phenoxyphenyl)-N'-(pyridin-4-ylmethyl)propanediamide?
The InChIKey is KVPWPTFRQKFKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-23(2,21(27)25-16-17-12-14-24-15-13-17)22(28)26-18-8-10-20(11-9-18)29-19-6-4-3-5-7-19/h3-15H,16H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of 2,2-dimethyl-N-(4-phenoxyphenyl)-N'-(pyridin-4-ylmethyl)propanediamide?
2,2-dimethyl-N-(4-phenoxyphenyl)-N'-(pyridin-4-ylmethyl)propanediamide has a molecular weight of 389.46 g/mol, XLogP of 4.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(4-phenoxyphenyl)-N'-(pyridin-4-ylmethyl)propanediamide is sourced from PubChem (CID 108963759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).