1-N-tert-butyl-2-N-(2-tert-butylphenyl)cyclopropane-1,2-dicarboxamide

C19H28N2O2 — CID 109139608

IUPAC1-N-tert-butyl-2-N-(2-tert-butylphenyl)cyclopropane-1,2-dicarboxamide
SMILESCC(C)(C)NC(=O)C1CC1C(=O)Nc1ccccc1C(C)(C)C
InChIInChI=1S/C19H28N2O2/c1-18(2,3)14-9-7-8-10-15(14)20-16(22)12-11-13(12)17(23)21-19(4,5)6/h7-10,12-13H,11H2,1-6H3,(H,20,22)(H,21,23)
InChIKeyVAKHDWYCEAVCTJ-UHFFFAOYSA-N
MW316.44 g/mol
LogP3.47
Rot. Bonds3

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

1-N-tert-butyl-2-N-(2-tert-butylphenyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109139608) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is 1-N-tert-butyl-2-N-(2-tert-butylphenyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-tert-butyl-2-N-(2-tert-butylphenyl)cyclopropane-1,2-dicarboxamide
PubChem CID109139608
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name1-N-tert-butyl-2-N-(2-tert-butylphenyl)cyclopropane-1,2-dicarboxamide
SMILESCC(C)(C)NC(=O)C1CC1C(=O)Nc1ccccc1C(C)(C)C
InChIInChI=1S/C19H28N2O2/c1-18(2,3)14-9-7-8-10-15(14)20-16(22)12-11-13(12)17(23)21-19(4,5)6/h7-10,12-13H,11H2,1-6H3,(H,20,22)(H,21,23)
InChIKeyVAKHDWYCEAVCTJ-UHFFFAOYSA-N
XLogP3.47
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-(2-tert-butylphenyl)-2-N-(2-ethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141992
2-N-(2-tert-butylphenyl)-1-N-(2,4,6-trimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109142412
1-N-tert-butyl-2-N-phenylcyclopropane-1,2-dicarboxamide
CID 109139586
methyl 4-[[2-[(2-tert-butylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 109142583
N-(2-tert-butylphenyl)cyclopentanecarboxamide
CID 7688669
1-N-tert-butyl-2-N-(2-ethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109139628
1-N-(2-tert-butylphenyl)-2-N-(3-phenylpropyl)cyclopropane-1,2-dicarboxamide
CID 109139443
1-N-benzyl-2-N-(2-tert-butylphenyl)-1-N-methylcyclopropane-1,2-dicarboxamide
CID 109135805
2-N-(2-tert-butylphenyl)-1-N-(2-ethyl-6-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109142222
N-(2-tert-butylphenyl)-4-methylpyrrolidine-3-carboxamide
CID 63714112
2-[(2-tert-butylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 22688945
1-N-tert-butyl-2-N-(2,6-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109139597

Frequently Asked Questions

What is the IUPAC name of 1-N-tert-butyl-2-N-(2-tert-butylphenyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-tert-butyl-2-N-(2-tert-butylphenyl)cyclopropane-1,2-dicarboxamide (CID 109139608) is 1-N-tert-butyl-2-N-(2-tert-butylphenyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-tert-butyl-2-N-(2-tert-butylphenyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-tert-butyl-2-N-(2-tert-butylphenyl)cyclopropane-1,2-dicarboxamide is CC(C)(C)NC(=O)C1CC1C(=O)Nc1ccccc1C(C)(C)C.
What is the InChIKey of 1-N-tert-butyl-2-N-(2-tert-butylphenyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is VAKHDWYCEAVCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-18(2,3)14-9-7-8-10-15(14)20-16(22)12-11-13(12)17(23)21-19(4,5)6/h7-10,12-13H,11H2,1-6H3,(H,20,22)(H,21,23).
What are the key properties of 1-N-tert-butyl-2-N-(2-tert-butylphenyl)cyclopropane-1,2-dicarboxamide?
1-N-tert-butyl-2-N-(2-tert-butylphenyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 316.44 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-tert-butyl-2-N-(2-tert-butylphenyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109139608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).