2-cyano-N-(3,5-dimethylphenyl)-N'-(3-methylphenyl)propanediamide

C19H19N3O2 — CID 144523280

IUPAC2-cyano-N-(3,5-dimethylphenyl)-N'-(3-methylphenyl)propanediamide
SMILESCc1cccc(NC(=O)C(C#N)C(=O)Nc2cc(C)cc(C)c2)c1
InChIInChI=1S/C19H19N3O2/c1-12-5-4-6-15(8-12)21-18(23)17(11-20)19(24)22-16-9-13(2)7-14(3)10-16/h4-10,17H,1-3H3,(H,21,23)(H,22,24)
InChIKeyPWLINBSTYGIBEG-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.33
Rot. Bonds4

About 2-cyano-N-(3,5-dimethylphenyl)-N'-(3-methylphenyl)propanediamide

2-cyano-N-(3,5-dimethylphenyl)-N'-(3-methylphenyl)propanediamide (PubChem CID 144523280) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-cyano-N-(3,5-dimethylphenyl)-N'-(3-methylphenyl)propanediamide.

Molecular Properties

Compound Name2-cyano-N-(3,5-dimethylphenyl)-N'-(3-methylphenyl)propanediamide
PubChem CID144523280
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name2-cyano-N-(3,5-dimethylphenyl)-N'-(3-methylphenyl)propanediamide
SMILESCc1cccc(NC(=O)C(C#N)C(=O)Nc2cc(C)cc(C)c2)c1
InChIInChI=1S/C19H19N3O2/c1-12-5-4-6-15(8-12)21-18(23)17(11-20)19(24)22-16-9-13(2)7-14(3)10-16/h4-10,17H,1-3H3,(H,21,23)(H,22,24)
InChIKeyPWLINBSTYGIBEG-UHFFFAOYSA-N
XLogP3.33
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.33
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

(2S)-2-cyano-5-methyl-N-(3-methylphenyl)-3-oxohexanamide
CID 98450088
2-cyano-3-cyclopentyl-N-(3-methylphenyl)-3-oxopropanamide
CID 47275634
2-cyano-4-(3-methylphenoxy)-N-(3-methylphenyl)-3-oxobutanamide
CID 51086424
(Z,2S)-2-cyano-5-(5-methylfuran-2-yl)-N-(3-methylphenyl)-3-oxopent-4-enamide
CID 98548768
(2R)-2-cyano-3-(3,4-dimethoxyphenyl)-N-(3-methylphenyl)-3-oxopropanamide
CID 98450105
2-cyano-3-(4-fluoro-3-methylsulfanylphenyl)-N-(3-methylphenyl)-3-oxopropanamide
CID 122133150
ethane;2-methyl-N-(3-methylphenyl)propanamide
CID 163229096
(2R)-2-cyano-5-(4-methoxyphenyl)-N-(3-methylphenyl)-3-oxopentanamide
CID 98450117
2-cyano-N-(3,5-dimethylphenyl)-2-phenylacetamide
CID 62878043
3-(3-chloro-4,5-dimethoxyphenyl)-2-cyano-N-(3-methylphenyl)-3-oxopropanamide
CID 47052906
2-cyano-3-(2,4-dimethylphenyl)-N-(3-methoxyphenyl)-3-oxopropanamide
CID 87011877
(2S)-2-cyano-N-(3-methoxyphenyl)-3-(4-methylphenyl)-3-oxopropanamide
CID 98449975

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(3,5-dimethylphenyl)-N'-(3-methylphenyl)propanediamide?
The IUPAC name of 2-cyano-N-(3,5-dimethylphenyl)-N'-(3-methylphenyl)propanediamide (CID 144523280) is 2-cyano-N-(3,5-dimethylphenyl)-N'-(3-methylphenyl)propanediamide.
What is the SMILES notation for 2-cyano-N-(3,5-dimethylphenyl)-N'-(3-methylphenyl)propanediamide?
The canonical SMILES for 2-cyano-N-(3,5-dimethylphenyl)-N'-(3-methylphenyl)propanediamide is Cc1cccc(NC(=O)C(C#N)C(=O)Nc2cc(C)cc(C)c2)c1.
What is the InChIKey of 2-cyano-N-(3,5-dimethylphenyl)-N'-(3-methylphenyl)propanediamide?
The InChIKey is PWLINBSTYGIBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-12-5-4-6-15(8-12)21-18(23)17(11-20)19(24)22-16-9-13(2)7-14(3)10-16/h4-10,17H,1-3H3,(H,21,23)(H,22,24).
What are the key properties of 2-cyano-N-(3,5-dimethylphenyl)-N'-(3-methylphenyl)propanediamide?
2-cyano-N-(3,5-dimethylphenyl)-N'-(3-methylphenyl)propanediamide has a molecular weight of 321.38 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(3,5-dimethylphenyl)-N'-(3-methylphenyl)propanediamide is sourced from PubChem (CID 144523280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).