1-N-benzyl-2-N-(2-cyanophenyl)-1-N-methylcyclopropane-1,2-dicarboxamide

C20H19N3O2 — CID 109135868

IUPAC1-N-benzyl-2-N-(2-cyanophenyl)-1-N-methylcyclopropane-1,2-dicarboxamide
SMILESCN(Cc1ccccc1)C(=O)C1CC1C(=O)Nc1ccccc1C#N
InChIInChI=1S/C20H19N3O2/c1-23(13-14-7-3-2-4-8-14)20(25)17-11-16(17)19(24)22-18-10-6-5-9-15(18)12-21/h2-10,16-17H,11,13H2,1H3,(H,22,24)
InChIKeySXWOPTFJKCRYKO-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.79
Rot. Bonds5

About 1-N-benzyl-2-N-(2-cyanophenyl)-1-N-methylcyclopropane-1,2-dicarboxamide

1-N-benzyl-2-N-(2-cyanophenyl)-1-N-methylcyclopropane-1,2-dicarboxamide (PubChem CID 109135868) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 1-N-benzyl-2-N-(2-cyanophenyl)-1-N-methylcyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-benzyl-2-N-(2-cyanophenyl)-1-N-methylcyclopropane-1,2-dicarboxamide
PubChem CID109135868
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name1-N-benzyl-2-N-(2-cyanophenyl)-1-N-methylcyclopropane-1,2-dicarboxamide
SMILESCN(Cc1ccccc1)C(=O)C1CC1C(=O)Nc1ccccc1C#N
InChIInChI=1S/C20H19N3O2/c1-23(13-14-7-3-2-4-8-14)20(25)17-11-16(17)19(24)22-18-10-6-5-9-15(18)12-21/h2-10,16-17H,11,13H2,1H3,(H,22,24)
InChIKeySXWOPTFJKCRYKO-UHFFFAOYSA-N
XLogP2.79
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-benzyl-2-N-(2-tert-butylphenyl)-1-N-methylcyclopropane-1,2-dicarboxamide
CID 109135805
1-N-benzyl-1-N-methyl-2-N-phenylcyclopropane-1,2-dicarboxamide
CID 109135783
1-N-benzyl-1-N-methyl-2-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide
CID 109135854
1-N-benzyl-2-N-(2,6-diethylphenyl)-1-N-methylcyclopropane-1,2-dicarboxamide
CID 109135803
1-N-benzyl-2-N-(2-methoxy-5-methylphenyl)-1-N-methylcyclopropane-1,2-dicarboxamide
CID 109135826
1-N-(2-cyanophenyl)-2-N-[4-(diethylamino)phenyl]cyclopropane-1,2-dicarboxamide
CID 109143947
2-N-(2-cyanophenyl)-1-N-(2,6-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141896
1-N-(2-cyanophenyl)-2-N-cyclopropylcyclopropane-1,2-dicarboxamide
CID 109131004
1-N-benzyl-2-N-(3-bromophenyl)-1-N-methylcyclopropane-1,2-dicarboxamide
CID 109135850
N-(2-cyanophenyl)-2-phenylcyclopropane-1-carboxamide
CID 3093789
1-N-benzyl-2-N-(3,4-dimethoxyphenyl)-1-N-methylcyclopropane-1,2-dicarboxamide
CID 109135831
2-N-(4-bromophenyl)-1-N-(2-cyanophenyl)cyclopropane-1,2-dicarboxamide
CID 109143302

Frequently Asked Questions

What is the IUPAC name of 1-N-benzyl-2-N-(2-cyanophenyl)-1-N-methylcyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-benzyl-2-N-(2-cyanophenyl)-1-N-methylcyclopropane-1,2-dicarboxamide (CID 109135868) is 1-N-benzyl-2-N-(2-cyanophenyl)-1-N-methylcyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-benzyl-2-N-(2-cyanophenyl)-1-N-methylcyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-benzyl-2-N-(2-cyanophenyl)-1-N-methylcyclopropane-1,2-dicarboxamide is CN(Cc1ccccc1)C(=O)C1CC1C(=O)Nc1ccccc1C#N.
What is the InChIKey of 1-N-benzyl-2-N-(2-cyanophenyl)-1-N-methylcyclopropane-1,2-dicarboxamide?
The InChIKey is SXWOPTFJKCRYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-23(13-14-7-3-2-4-8-14)20(25)17-11-16(17)19(24)22-18-10-6-5-9-15(18)12-21/h2-10,16-17H,11,13H2,1H3,(H,22,24).
What are the key properties of 1-N-benzyl-2-N-(2-cyanophenyl)-1-N-methylcyclopropane-1,2-dicarboxamide?
1-N-benzyl-2-N-(2-cyanophenyl)-1-N-methylcyclopropane-1,2-dicarboxamide has a molecular weight of 333.39 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-benzyl-2-N-(2-cyanophenyl)-1-N-methylcyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109135868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).