1-N'-(2-cyanophenyl)-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide

C21H21N3O3 — CID 108983275

IUPAC1-N'-(2-cyanophenyl)-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
SMILESCC(C)Oc1ccc(NC(=O)C2(C(=O)Nc3ccccc3C#N)CC2)cc1
InChIInChI=1S/C21H21N3O3/c1-14(2)27-17-9-7-16(8-10-17)23-19(25)21(11-12-21)20(26)24-18-6-4-3-5-15(18)13-22/h3-10,14H,11-12H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyIMADBPGNBGCTSL-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.70
Rot. Bonds6

About 1-N'-(2-cyanophenyl)-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide

1-N'-(2-cyanophenyl)-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108983275) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 1-N'-(2-cyanophenyl)-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-(2-cyanophenyl)-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
PubChem CID108983275
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name1-N'-(2-cyanophenyl)-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
SMILESCC(C)Oc1ccc(NC(=O)C2(C(=O)Nc3ccccc3C#N)CC2)cc1
InChIInChI=1S/C21H21N3O3/c1-14(2)27-17-9-7-16(8-10-17)23-19(25)21(11-12-21)20(26)24-18-6-4-3-5-15(18)13-22/h3-10,14H,11-12H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyIMADBPGNBGCTSL-UHFFFAOYSA-N
XLogP3.70
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.70
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

1-N'-(2-cyanophenyl)-1-N-phenylcyclopropane-1,1-dicarboxamide
CID 108980627
1-N'-(2-fluorophenyl)-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108982309
1-N'-(2-ethylphenyl)-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108981717
1-N'-(2-cyanophenyl)-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108982432
1-N'-(3-acetylphenyl)-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108983261
1-N-(4-acetamidophenyl)-1-N'-(2-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108983238
1-N'-(2,4-dimethoxyphenyl)-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108983259
1-N'-(2,4-difluorophenyl)-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108983273
1-N'-(2-tert-butylphenyl)-1-N-(2-cyanophenyl)cyclopropane-1,1-dicarboxamide
CID 108982236
1-N-(2-cyanophenyl)-1-N'-(2,3-dimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981680
1-N'-(2-cyanophenyl)-1-N-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1,1-dicarboxamide
CID 108983713
N-(2-cyanophenyl)-3-propan-2-yloxybenzamide
CID 924558

Frequently Asked Questions

What is the IUPAC name of 1-N'-(2-cyanophenyl)-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-(2-cyanophenyl)-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide (CID 108983275) is 1-N'-(2-cyanophenyl)-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-(2-cyanophenyl)-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-(2-cyanophenyl)-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide is CC(C)Oc1ccc(NC(=O)C2(C(=O)Nc3ccccc3C#N)CC2)cc1.
What is the InChIKey of 1-N'-(2-cyanophenyl)-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is IMADBPGNBGCTSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-14(2)27-17-9-7-16(8-10-17)23-19(25)21(11-12-21)20(26)24-18-6-4-3-5-15(18)13-22/h3-10,14H,11-12H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 1-N'-(2-cyanophenyl)-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide?
1-N'-(2-cyanophenyl)-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 363.42 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(2-cyanophenyl)-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108983275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).