2-N-(2-cyanophenyl)-1-N-(2,6-dimethylphenyl)cyclopropane-1,2-dicarboxamide

C20H19N3O2 — CID 109141896

IUPAC2-N-(2-cyanophenyl)-1-N-(2,6-dimethylphenyl)cyclopropane-1,2-dicarboxamide
SMILESCc1cccc(C)c1NC(=O)C1CC1C(=O)Nc1ccccc1C#N
InChIInChI=1S/C20H19N3O2/c1-12-6-5-7-13(2)18(12)23-20(25)16-10-15(16)19(24)22-17-9-4-3-8-14(17)11-21/h3-9,15-16H,10H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyVGYZOQPOSTUDER-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.39
Rot. Bonds4

About 2-N-(2-cyanophenyl)-1-N-(2,6-dimethylphenyl)cyclopropane-1,2-dicarboxamide

2-N-(2-cyanophenyl)-1-N-(2,6-dimethylphenyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109141896) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 2-N-(2-cyanophenyl)-1-N-(2,6-dimethylphenyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-(2-cyanophenyl)-1-N-(2,6-dimethylphenyl)cyclopropane-1,2-dicarboxamide
PubChem CID109141896
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name2-N-(2-cyanophenyl)-1-N-(2,6-dimethylphenyl)cyclopropane-1,2-dicarboxamide
SMILESCc1cccc(C)c1NC(=O)C1CC1C(=O)Nc1ccccc1C#N
InChIInChI=1S/C20H19N3O2/c1-12-6-5-7-13(2)18(12)23-20(25)16-10-15(16)19(24)22-17-9-4-3-8-14(17)11-21/h3-9,15-16H,10H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyVGYZOQPOSTUDER-UHFFFAOYSA-N
XLogP3.39
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-cyanophenyl)-3-(2,6-dimethylphenyl)urea
CID 108991418
1-N-(2-cyanophenyl)-2-N-cyclopropylcyclopropane-1,2-dicarboxamide
CID 109131004
2-N-(4-bromophenyl)-1-N-(2-cyanophenyl)cyclopropane-1,2-dicarboxamide
CID 109143302
1-N-(2-cyanophenyl)-2-N-(2,4-dichlorophenyl)cyclopropane-1,2-dicarboxamide
CID 109144163
1-N-(2-cyanophenyl)-2-N-[4-(diethylamino)phenyl]cyclopropane-1,2-dicarboxamide
CID 109143947
N-(2-cyanophenyl)-2-phenylcyclopropane-1-carboxamide
CID 3093789
2-N-(3-cyanophenyl)-1-N-(2-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109140997
1-N-benzyl-2-N-(2-cyanophenyl)-1-N-methylcyclopropane-1,2-dicarboxamide
CID 109135868
1-(2-cyanophenyl)-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 108991723
1-N-(2,6-dimethylphenyl)-2-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide
CID 109141882
1-N-tert-butyl-2-N-(2,6-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109139597
2-N-cyclopropyl-1-N-(2,6-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109130915

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-cyanophenyl)-1-N-(2,6-dimethylphenyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 2-N-(2-cyanophenyl)-1-N-(2,6-dimethylphenyl)cyclopropane-1,2-dicarboxamide (CID 109141896) is 2-N-(2-cyanophenyl)-1-N-(2,6-dimethylphenyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 2-N-(2-cyanophenyl)-1-N-(2,6-dimethylphenyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 2-N-(2-cyanophenyl)-1-N-(2,6-dimethylphenyl)cyclopropane-1,2-dicarboxamide is Cc1cccc(C)c1NC(=O)C1CC1C(=O)Nc1ccccc1C#N.
What is the InChIKey of 2-N-(2-cyanophenyl)-1-N-(2,6-dimethylphenyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is VGYZOQPOSTUDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-12-6-5-7-13(2)18(12)23-20(25)16-10-15(16)19(24)22-17-9-4-3-8-14(17)11-21/h3-9,15-16H,10H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 2-N-(2-cyanophenyl)-1-N-(2,6-dimethylphenyl)cyclopropane-1,2-dicarboxamide?
2-N-(2-cyanophenyl)-1-N-(2,6-dimethylphenyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 333.39 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-cyanophenyl)-1-N-(2,6-dimethylphenyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109141896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).