N-(3-cyanophenyl)-N'-(2,3-dimethylphenyl)propanediamide

C18H17N3O2 — CID 108953919

IUPACN-(3-cyanophenyl)-N'-(2,3-dimethylphenyl)propanediamide
SMILESCc1cccc(NC(=O)CC(=O)Nc2cccc(C#N)c2)c1C
InChIInChI=1S/C18H17N3O2/c1-12-5-3-8-16(13(12)2)21-18(23)10-17(22)20-15-7-4-6-14(9-15)11-19/h3-9H,10H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyZDKIQPZHECZQPE-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.14
Rot. Bonds4

About N-(3-cyanophenyl)-N'-(2,3-dimethylphenyl)propanediamide

N-(3-cyanophenyl)-N'-(2,3-dimethylphenyl)propanediamide (PubChem CID 108953919) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-(3-cyanophenyl)-N'-(2,3-dimethylphenyl)propanediamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-N'-(2,3-dimethylphenyl)propanediamide
PubChem CID108953919
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC NameN-(3-cyanophenyl)-N'-(2,3-dimethylphenyl)propanediamide
SMILESCc1cccc(NC(=O)CC(=O)Nc2cccc(C#N)c2)c1C
InChIInChI=1S/C18H17N3O2/c1-12-5-3-8-16(13(12)2)21-18(23)10-17(22)20-15-7-4-6-14(9-15)11-19/h3-9H,10H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyZDKIQPZHECZQPE-UHFFFAOYSA-N
XLogP3.14
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.14
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

N-(3-cyanophenyl)-3-(2,3-dimethylanilino)propanamide
CID 109036090
1-(3-cyanophenyl)-3-(2,3-dimethylphenyl)thiourea
CID 7941256
N-(3-cyanophenyl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]acetamide
CID 9038792
N-(3-bromo-4-methylphenyl)-N'-(2,3-dimethylphenyl)propanediamide
CID 108953864
N-(3-cyanophenyl)-N'-(2,5-dimethoxyphenyl)propanediamide
CID 108955950
3-(N-acetyl-3-cyanoanilino)-N-(2,3-dimethylphenyl)propanamide
CID 113134925
N-(4-bromophenyl)-N'-(2,3-dimethylphenyl)propanediamide
CID 108953863
N-(3-cyanophenyl)-3,3-dimethylbutanamide
CID 803129
N'-(3-cyanophenyl)-N-(3-methylbutyl)propanediamide
CID 108951873
N-(3-cyanophenyl)-2-(4-fluoro-2-methylanilino)acetamide
CID 9106150
3-(3-cyano-N-methylsulfonylanilino)-N-(2,3-dimethylphenyl)propanamide
CID 113146886
N-(3-cyanophenyl)-N'-(2-morpholin-4-ylphenyl)propanediamide
CID 108956537

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-N'-(2,3-dimethylphenyl)propanediamide?
The IUPAC name of N-(3-cyanophenyl)-N'-(2,3-dimethylphenyl)propanediamide (CID 108953919) is N-(3-cyanophenyl)-N'-(2,3-dimethylphenyl)propanediamide.
What is the SMILES notation for N-(3-cyanophenyl)-N'-(2,3-dimethylphenyl)propanediamide?
The canonical SMILES for N-(3-cyanophenyl)-N'-(2,3-dimethylphenyl)propanediamide is Cc1cccc(NC(=O)CC(=O)Nc2cccc(C#N)c2)c1C.
What is the InChIKey of N-(3-cyanophenyl)-N'-(2,3-dimethylphenyl)propanediamide?
The InChIKey is ZDKIQPZHECZQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-12-5-3-8-16(13(12)2)21-18(23)10-17(22)20-15-7-4-6-14(9-15)11-19/h3-9H,10H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N-(3-cyanophenyl)-N'-(2,3-dimethylphenyl)propanediamide?
N-(3-cyanophenyl)-N'-(2,3-dimethylphenyl)propanediamide has a molecular weight of 307.35 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-N'-(2,3-dimethylphenyl)propanediamide is sourced from PubChem (CID 108953919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).