1-N'-(2-tert-butylphenyl)-1-N-(2-cyanophenyl)cyclopropane-1,1-dicarboxamide

C22H23N3O2 — CID 108982236

IUPAC1-N'-(2-tert-butylphenyl)-1-N-(2-cyanophenyl)cyclopropane-1,1-dicarboxamide
SMILESCC(C)(C)c1ccccc1NC(=O)C1(C(=O)Nc2ccccc2C#N)CC1
InChIInChI=1S/C22H23N3O2/c1-21(2,3)16-9-5-7-11-18(16)25-20(27)22(12-13-22)19(26)24-17-10-6-4-8-15(17)14-23/h4-11H,12-13H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyDEOXIQRQLJDYOS-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.21
Rot. Bonds4

About 1-N'-(2-tert-butylphenyl)-1-N-(2-cyanophenyl)cyclopropane-1,1-dicarboxamide

1-N'-(2-tert-butylphenyl)-1-N-(2-cyanophenyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108982236) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 1-N'-(2-tert-butylphenyl)-1-N-(2-cyanophenyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-(2-tert-butylphenyl)-1-N-(2-cyanophenyl)cyclopropane-1,1-dicarboxamide
PubChem CID108982236
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name1-N'-(2-tert-butylphenyl)-1-N-(2-cyanophenyl)cyclopropane-1,1-dicarboxamide
SMILESCC(C)(C)c1ccccc1NC(=O)C1(C(=O)Nc2ccccc2C#N)CC1
InChIInChI=1S/C22H23N3O2/c1-21(2,3)16-9-5-7-11-18(16)25-20(27)22(12-13-22)19(26)24-17-10-6-4-8-15(17)14-23/h4-11H,12-13H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyDEOXIQRQLJDYOS-UHFFFAOYSA-N
XLogP4.21
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-cyanophenyl)-1-N'-(2,3-dimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981680
3-N-(2-tert-butylphenyl)-1-N-(2-cyanophenyl)benzene-1,3-dicarboxamide
CID 109057400
1-N'-(2-cyanophenyl)-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108982432
1-N'-(2-tert-butylphenyl)-1-N-cyclohexylcyclopropane-1,1-dicarboxamide
CID 108972233
1-N'-(2-tert-butylphenyl)-1-N-(2-phenylethyl)cyclopropane-1,1-dicarboxamide
CID 108977143
1-N-(2-tert-butylphenyl)-1-N',1-N'-diethylcyclopropane-1,1-dicarboxamide
CID 108979076
1-N'-(2-cyanophenyl)-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108983275
1-N'-(2-tert-butylphenyl)-1-N-(3-methoxypropyl)cyclopropane-1,1-dicarboxamide
CID 108972946
1-amino-N-(2-tert-butylphenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119399892
1-N'-(2-tert-butylphenyl)-1-N-[(4-methoxyphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108976340
1-N'-(2-tert-butylphenyl)-1-N-[2-(4-chlorophenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108978388

Frequently Asked Questions

What is the IUPAC name of 1-N'-(2-tert-butylphenyl)-1-N-(2-cyanophenyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-(2-tert-butylphenyl)-1-N-(2-cyanophenyl)cyclopropane-1,1-dicarboxamide (CID 108982236) is 1-N'-(2-tert-butylphenyl)-1-N-(2-cyanophenyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-(2-tert-butylphenyl)-1-N-(2-cyanophenyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-(2-tert-butylphenyl)-1-N-(2-cyanophenyl)cyclopropane-1,1-dicarboxamide is CC(C)(C)c1ccccc1NC(=O)C1(C(=O)Nc2ccccc2C#N)CC1.
What is the InChIKey of 1-N'-(2-tert-butylphenyl)-1-N-(2-cyanophenyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is DEOXIQRQLJDYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-21(2,3)16-9-5-7-11-18(16)25-20(27)22(12-13-22)19(26)24-17-10-6-4-8-15(17)14-23/h4-11H,12-13H2,1-3H3,(H,24,26)(H,25,27).
What are the key properties of 1-N'-(2-tert-butylphenyl)-1-N-(2-cyanophenyl)cyclopropane-1,1-dicarboxamide?
1-N'-(2-tert-butylphenyl)-1-N-(2-cyanophenyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 361.45 g/mol, XLogP of 4.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(2-tert-butylphenyl)-1-N-(2-cyanophenyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108982236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).