1-N'-(3-cyanophenyl)-1-N-(4-methoxyphenyl)cyclopropane-1,1-dicarboxamide

C19H17N3O3 — CID 108983097

IUPAC1-N'-(3-cyanophenyl)-1-N-(4-methoxyphenyl)cyclopropane-1,1-dicarboxamide
SMILESCOc1ccc(NC(=O)C2(C(=O)Nc3cccc(C#N)c3)CC2)cc1
InChIInChI=1S/C19H17N3O3/c1-25-16-7-5-14(6-8-16)21-17(23)19(9-10-19)18(24)22-15-4-2-3-13(11-15)12-20/h2-8,11H,9-10H2,1H3,(H,21,23)(H,22,24)
InChIKeyBZXQYTTXVFHJEQ-UHFFFAOYSA-N
MW335.36 g/mol
LogP2.92
Rot. Bonds5

About 1-N'-(3-cyanophenyl)-1-N-(4-methoxyphenyl)cyclopropane-1,1-dicarboxamide

1-N'-(3-cyanophenyl)-1-N-(4-methoxyphenyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108983097) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is 1-N'-(3-cyanophenyl)-1-N-(4-methoxyphenyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-(3-cyanophenyl)-1-N-(4-methoxyphenyl)cyclopropane-1,1-dicarboxamide
PubChem CID108983097
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name1-N'-(3-cyanophenyl)-1-N-(4-methoxyphenyl)cyclopropane-1,1-dicarboxamide
SMILESCOc1ccc(NC(=O)C2(C(=O)Nc3cccc(C#N)c3)CC2)cc1
InChIInChI=1S/C19H17N3O3/c1-25-16-7-5-14(6-8-16)21-17(23)19(9-10-19)18(24)22-15-4-2-3-13(11-15)12-20/h2-8,11H,9-10H2,1H3,(H,21,23)(H,22,24)
InChIKeyBZXQYTTXVFHJEQ-UHFFFAOYSA-N
XLogP2.92
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-[[1-[(3-cyanophenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 108983739
1-N-(3-cyanophenyl)-2-N-(4-methoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143462
1-N-(3-bromophenyl)-1-N'-(3-cyanophenyl)cyclopropane-1,1-dicarboxamide
CID 108983671
1-N'-(3-cyanophenyl)-1-N-(3-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108983653
1-N'-(4-cyanophenyl)-1-N-[(4-methoxyphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108976395
1-(3-cyanophenyl)-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea
CID 113214747
1-N-(4-chlorophenyl)-1-N'-(3-methoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108982578
1-amino-N-(3-cyanophenyl)cyclobutane-1-carboxamide
CID 81179740
1-N-(3-cyanophenyl)-1-N'-(2,5-dichlorophenyl)cyclopropane-1,1-dicarboxamide
CID 108983805
1-N-(3-cyanophenyl)-1-N'-quinolin-8-ylcyclopropane-1,1-dicarboxamide
CID 108983729
N-(3-cyanophenyl)-3-methoxybenzamide
CID 2707607
1-N'-(2,4-dimethoxyphenyl)-1-N-(4-methoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108983060

Frequently Asked Questions

What is the IUPAC name of 1-N'-(3-cyanophenyl)-1-N-(4-methoxyphenyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-(3-cyanophenyl)-1-N-(4-methoxyphenyl)cyclopropane-1,1-dicarboxamide (CID 108983097) is 1-N'-(3-cyanophenyl)-1-N-(4-methoxyphenyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-(3-cyanophenyl)-1-N-(4-methoxyphenyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-(3-cyanophenyl)-1-N-(4-methoxyphenyl)cyclopropane-1,1-dicarboxamide is COc1ccc(NC(=O)C2(C(=O)Nc3cccc(C#N)c3)CC2)cc1.
What is the InChIKey of 1-N'-(3-cyanophenyl)-1-N-(4-methoxyphenyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is BZXQYTTXVFHJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-25-16-7-5-14(6-8-16)21-17(23)19(9-10-19)18(24)22-15-4-2-3-13(11-15)12-20/h2-8,11H,9-10H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 1-N'-(3-cyanophenyl)-1-N-(4-methoxyphenyl)cyclopropane-1,1-dicarboxamide?
1-N'-(3-cyanophenyl)-1-N-(4-methoxyphenyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 335.36 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(3-cyanophenyl)-1-N-(4-methoxyphenyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108983097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).