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

C21H30N2O2 — CID 108972233

IUPAC1-N'-(2-tert-butylphenyl)-1-N-cyclohexylcyclopropane-1,1-dicarboxamide
SMILESCC(C)(C)c1ccccc1NC(=O)C1(C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C21H30N2O2/c1-20(2,3)16-11-7-8-12-17(16)23-19(25)21(13-14-21)18(24)22-15-9-5-4-6-10-15/h7-8,11-12,15H,4-6,9-10,13-14H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyHAVNMNBHKATXNL-UHFFFAOYSA-N
MW342.48 g/mol
LogP4.15
Rot. Bonds4

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

1-N'-(2-tert-butylphenyl)-1-N-cyclohexylcyclopropane-1,1-dicarboxamide (PubChem CID 108972233) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is 1-N'-(2-tert-butylphenyl)-1-N-cyclohexylcyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-(2-tert-butylphenyl)-1-N-cyclohexylcyclopropane-1,1-dicarboxamide
PubChem CID108972233
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC Name1-N'-(2-tert-butylphenyl)-1-N-cyclohexylcyclopropane-1,1-dicarboxamide
SMILESCC(C)(C)c1ccccc1NC(=O)C1(C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C21H30N2O2/c1-20(2,3)16-11-7-8-12-17(16)23-19(25)21(13-14-21)18(24)22-15-9-5-4-6-10-15/h7-8,11-12,15H,4-6,9-10,13-14H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyHAVNMNBHKATXNL-UHFFFAOYSA-N
XLogP4.15
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-tert-butylphenyl)-N-cycloheptyloxamide
CID 108530177
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-cyclopentyl-1-N'-quinolin-8-ylcyclopropane-1,1-dicarboxamide
CID 108971914
1-N'-(4-acetamidophenyl)-1-N-cyclohexylcyclopropane-1,1-dicarboxamide
CID 108972267
1-N-cyclopropyl-1-N'-(2-methoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108970708
1-N'-(2-tert-butylphenyl)-1-N-[2-(4-chlorophenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108978388
1-N'-(3-acetamidophenyl)-1-N-cyclohexylcyclopropane-1,1-dicarboxamide
CID 108972266
1-N-(2-tert-butylphenyl)-1-N',1-N'-diethylcyclopropane-1,1-dicarboxamide
CID 108979076
N-(2-tert-butylphenyl)cyclopentanecarboxamide
CID 7688669
1-N-cyclohexyl-1-N'-cyclopropylcyclopropane-1,1-dicarboxamide
CID 108970589
1-N'-(2-tert-butylphenyl)-1-N-(3-methoxypropyl)cyclopropane-1,1-dicarboxamide
CID 108972946

Frequently Asked Questions

What is the IUPAC name of 1-N'-(2-tert-butylphenyl)-1-N-cyclohexylcyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-(2-tert-butylphenyl)-1-N-cyclohexylcyclopropane-1,1-dicarboxamide (CID 108972233) is 1-N'-(2-tert-butylphenyl)-1-N-cyclohexylcyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-(2-tert-butylphenyl)-1-N-cyclohexylcyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-(2-tert-butylphenyl)-1-N-cyclohexylcyclopropane-1,1-dicarboxamide is CC(C)(C)c1ccccc1NC(=O)C1(C(=O)NC2CCCCC2)CC1.
What is the InChIKey of 1-N'-(2-tert-butylphenyl)-1-N-cyclohexylcyclopropane-1,1-dicarboxamide?
The InChIKey is HAVNMNBHKATXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O2/c1-20(2,3)16-11-7-8-12-17(16)23-19(25)21(13-14-21)18(24)22-15-9-5-4-6-10-15/h7-8,11-12,15H,4-6,9-10,13-14H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of 1-N'-(2-tert-butylphenyl)-1-N-cyclohexylcyclopropane-1,1-dicarboxamide?
1-N'-(2-tert-butylphenyl)-1-N-cyclohexylcyclopropane-1,1-dicarboxamide has a molecular weight of 342.48 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(2-tert-butylphenyl)-1-N-cyclohexylcyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108972233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).