(Z)-2-(2,5-dimethylphenyl)-N'-(3,4-dimethylphenyl)but-2-enediamide

C20H22N2O2 — CID 71246238

IUPAC(Z)-2-(2,5-dimethylphenyl)-N'-(3,4-dimethylphenyl)but-2-enediamide
SMILESCc1ccc(C)c(/C(=C/C(=O)Nc2ccc(C)c(C)c2)C(N)=O)c1
InChIInChI=1S/C20H22N2O2/c1-12-5-6-14(3)17(9-12)18(20(21)24)11-19(23)22-16-8-7-13(2)15(4)10-16/h5-11H,1-4H3,(H2,21,24)(H,22,23)/b18-11-
InChIKeySLHGMGLEUBPHRZ-WQRHYEAKSA-N
MW322.41 g/mol
LogP3.43
Rot. Bonds4

About (Z)-2-(2,5-dimethylphenyl)-N'-(3,4-dimethylphenyl)but-2-enediamide

(Z)-2-(2,5-dimethylphenyl)-N'-(3,4-dimethylphenyl)but-2-enediamide (PubChem CID 71246238) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is (Z)-2-(2,5-dimethylphenyl)-N'-(3,4-dimethylphenyl)but-2-enediamide.

Molecular Properties

Compound Name(Z)-2-(2,5-dimethylphenyl)-N'-(3,4-dimethylphenyl)but-2-enediamide
PubChem CID71246238
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name(Z)-2-(2,5-dimethylphenyl)-N'-(3,4-dimethylphenyl)but-2-enediamide
SMILESCc1ccc(C)c(/C(=C/C(=O)Nc2ccc(C)c(C)c2)C(N)=O)c1
InChIInChI=1S/C20H22N2O2/c1-12-5-6-14(3)17(9-12)18(20(21)24)11-19(23)22-16-8-7-13(2)15(4)10-16/h5-11H,1-4H3,(H2,21,24)(H,22,23)/b18-11-
InChIKeySLHGMGLEUBPHRZ-WQRHYEAKSA-N
XLogP3.43
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl (2E)-6-(3,4-dimethylanilino)-4-hydroxy-6-oxohexa-2,4-dienoate
CID 54716134
N,N'-bis(3,4-dimethylphenyl)oxamide
CID 3278038
(Z)-N-(4-bromophenyl)-N'-(3,4-dimethylphenyl)but-2-enediamide
CID 71511657
N-(3-chloro-4-methylphenyl)-3-methylbut-2-enamide
CID 19177488
5-[(2,5-dimethylbenzoyl)amino]-2-methylbenzoic acid
CID 63653663
1-(2-amino-4-methylphenyl)-3-(3,4-dimethylphenyl)urea
CID 108894103
1-(3,4-dimethylphenyl)-3-(3-methylphenyl)urea
CID 2985670
N-(3-carbamoylphenyl)-2,5-dimethylbenzamide
CID 17394434
N-(3,4-dimethylphenyl)-2,4,5-trimethylbenzamide
CID 100707473
2,5-dimethyl-N-(3-methylphenyl)benzamide
CID 925357
N-(3,4-dimethylphenyl)-N'-(2-hydroxy-4-methylphenyl)oxamide
CID 108523165
2-[3-(dimethylamino)propyl-methylamino]-N-(3,4-dimethylphenyl)-5-methylbenzamide
CID 70790667

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(2,5-dimethylphenyl)-N'-(3,4-dimethylphenyl)but-2-enediamide?
The IUPAC name of (Z)-2-(2,5-dimethylphenyl)-N'-(3,4-dimethylphenyl)but-2-enediamide (CID 71246238) is (Z)-2-(2,5-dimethylphenyl)-N'-(3,4-dimethylphenyl)but-2-enediamide.
What is the SMILES notation for (Z)-2-(2,5-dimethylphenyl)-N'-(3,4-dimethylphenyl)but-2-enediamide?
The canonical SMILES for (Z)-2-(2,5-dimethylphenyl)-N'-(3,4-dimethylphenyl)but-2-enediamide is Cc1ccc(C)c(/C(=C/C(=O)Nc2ccc(C)c(C)c2)C(N)=O)c1.
What is the InChIKey of (Z)-2-(2,5-dimethylphenyl)-N'-(3,4-dimethylphenyl)but-2-enediamide?
The InChIKey is SLHGMGLEUBPHRZ-WQRHYEAKSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-12-5-6-14(3)17(9-12)18(20(21)24)11-19(23)22-16-8-7-13(2)15(4)10-16/h5-11H,1-4H3,(H2,21,24)(H,22,23)/b18-11-.
What are the key properties of (Z)-2-(2,5-dimethylphenyl)-N'-(3,4-dimethylphenyl)but-2-enediamide?
(Z)-2-(2,5-dimethylphenyl)-N'-(3,4-dimethylphenyl)but-2-enediamide has a molecular weight of 322.41 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(2,5-dimethylphenyl)-N'-(3,4-dimethylphenyl)but-2-enediamide is sourced from PubChem (CID 71246238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).