1-N-(2-tert-butylphenyl)-1-N',1-N'-diethylcyclopropane-1,1-dicarboxamide

C19H28N2O2 — CID 108979076

IUPAC1-N-(2-tert-butylphenyl)-1-N',1-N'-diethylcyclopropane-1,1-dicarboxamide
SMILESCCN(CC)C(=O)C1(C(=O)Nc2ccccc2C(C)(C)C)CC1
InChIInChI=1S/C19H28N2O2/c1-6-21(7-2)17(23)19(12-13-19)16(22)20-15-11-9-8-10-14(15)18(3,4)5/h8-11H,6-7,12-13H2,1-5H3,(H,20,22)
InChIKeyWFCXLCFQWZDHOI-UHFFFAOYSA-N
MW316.44 g/mol
LogP3.57
Rot. Bonds5

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

1-N-(2-tert-butylphenyl)-1-N',1-N'-diethylcyclopropane-1,1-dicarboxamide (PubChem CID 108979076) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is 1-N-(2-tert-butylphenyl)-1-N',1-N'-diethylcyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N-(2-tert-butylphenyl)-1-N',1-N'-diethylcyclopropane-1,1-dicarboxamide
PubChem CID108979076
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name1-N-(2-tert-butylphenyl)-1-N',1-N'-diethylcyclopropane-1,1-dicarboxamide
SMILESCCN(CC)C(=O)C1(C(=O)Nc2ccccc2C(C)(C)C)CC1
InChIInChI=1S/C19H28N2O2/c1-6-21(7-2)17(23)19(12-13-19)16(22)20-15-11-9-8-10-14(15)18(3,4)5/h8-11H,6-7,12-13H2,1-5H3,(H,20,22)
InChIKeyWFCXLCFQWZDHOI-UHFFFAOYSA-N
XLogP3.57
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N',1-N'-diethyl-1-N-(2-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108979078
1-N-(2,4-dimethylphenyl)-1-N',1-N'-diethylcyclopropane-1,1-dicarboxamide
CID 108979061
N-(2-tert-butylphenyl)-N',N'-diethyloxamide
CID 47335864
1-N'-(2-tert-butylphenyl)-1-N-(2-phenylethyl)cyclopropane-1,1-dicarboxamide
CID 108977143
1-N'-(2-tert-butylphenyl)-1-N-(2-cyanophenyl)cyclopropane-1,1-dicarboxamide
CID 108982236
1-N-(2,5-dimethylphenyl)-1-N',1-N'-diethylcyclopropane-1,1-dicarboxamide
CID 108979062
1-N'-(2-tert-butylphenyl)-1-N-(3-methoxypropyl)cyclopropane-1,1-dicarboxamide
CID 108972946
1-N'-(2-tert-butylphenyl)-1-N-cyclohexylcyclopropane-1,1-dicarboxamide
CID 108972233
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
1-N-(2,5-dichlorophenyl)-1-N',1-N'-diethylcyclopropane-1,1-dicarboxamide
CID 108979145

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-tert-butylphenyl)-1-N',1-N'-diethylcyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N-(2-tert-butylphenyl)-1-N',1-N'-diethylcyclopropane-1,1-dicarboxamide (CID 108979076) is 1-N-(2-tert-butylphenyl)-1-N',1-N'-diethylcyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N-(2-tert-butylphenyl)-1-N',1-N'-diethylcyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N-(2-tert-butylphenyl)-1-N',1-N'-diethylcyclopropane-1,1-dicarboxamide is CCN(CC)C(=O)C1(C(=O)Nc2ccccc2C(C)(C)C)CC1.
What is the InChIKey of 1-N-(2-tert-butylphenyl)-1-N',1-N'-diethylcyclopropane-1,1-dicarboxamide?
The InChIKey is WFCXLCFQWZDHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-6-21(7-2)17(23)19(12-13-19)16(22)20-15-11-9-8-10-14(15)18(3,4)5/h8-11H,6-7,12-13H2,1-5H3,(H,20,22).
What are the key properties of 1-N-(2-tert-butylphenyl)-1-N',1-N'-diethylcyclopropane-1,1-dicarboxamide?
1-N-(2-tert-butylphenyl)-1-N',1-N'-diethylcyclopropane-1,1-dicarboxamide has a molecular weight of 316.44 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-tert-butylphenyl)-1-N',1-N'-diethylcyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108979076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).