1-N-tert-butyl-2-N-phenylcyclopropane-1,2-dicarboxamide

C15H20N2O2 — CID 109139586

IUPAC1-N-tert-butyl-2-N-phenylcyclopropane-1,2-dicarboxamide
SMILESCC(C)(C)NC(=O)C1CC1C(=O)Nc1ccccc1
InChIInChI=1S/C15H20N2O2/c1-15(2,3)17-14(19)12-9-11(12)13(18)16-10-7-5-4-6-8-10/h4-8,11-12H,9H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyACCKXJJGWKLDJO-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.18
Rot. Bonds3

About 1-N-tert-butyl-2-N-phenylcyclopropane-1,2-dicarboxamide

1-N-tert-butyl-2-N-phenylcyclopropane-1,2-dicarboxamide (PubChem CID 109139586) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-N-tert-butyl-2-N-phenylcyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-tert-butyl-2-N-phenylcyclopropane-1,2-dicarboxamide
PubChem CID109139586
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name1-N-tert-butyl-2-N-phenylcyclopropane-1,2-dicarboxamide
SMILESCC(C)(C)NC(=O)C1CC1C(=O)Nc1ccccc1
InChIInChI=1S/C15H20N2O2/c1-15(2,3)17-14(19)12-9-11(12)13(18)16-10-7-5-4-6-8-10/h4-8,11-12H,9H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyACCKXJJGWKLDJO-UHFFFAOYSA-N
XLogP2.18
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-tert-butyl-2-N-(4-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109139589
1-N-tert-butyl-2-N-(4-chlorophenyl)cyclopropane-1,2-dicarboxamide
CID 109139614
1-N-tert-butyl-2-N-(2-tert-butylphenyl)cyclopropane-1,2-dicarboxamide
CID 109139608
1-N-tert-butyl-2-N-(2,6-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109139597
1-N-tert-butyl-2-N-(3,4-difluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109139691
1-N-tert-butyl-2-N-(1-phenylethyl)cyclopropane-1,2-dicarboxamide
CID 109135625
2-N-tert-butyl-1-N-methyl-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109139590
2-N-cyclopropyl-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109130904
3-methyl-N-phenylcyclobutane-1-carboxamide
CID 121011883
2-(azepane-1-carbonyl)-N-phenylcyclopropane-1-carboxamide
CID 109140677
1-N-tert-butyl-2-N-(2-ethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109139628
1-N-(3-chlorophenyl)-2-N-phenylcyclopropane-1,2-dicarboxamide
CID 109140819

Frequently Asked Questions

What is the IUPAC name of 1-N-tert-butyl-2-N-phenylcyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-tert-butyl-2-N-phenylcyclopropane-1,2-dicarboxamide (CID 109139586) is 1-N-tert-butyl-2-N-phenylcyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-tert-butyl-2-N-phenylcyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-tert-butyl-2-N-phenylcyclopropane-1,2-dicarboxamide is CC(C)(C)NC(=O)C1CC1C(=O)Nc1ccccc1.
What is the InChIKey of 1-N-tert-butyl-2-N-phenylcyclopropane-1,2-dicarboxamide?
The InChIKey is ACCKXJJGWKLDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-15(2,3)17-14(19)12-9-11(12)13(18)16-10-7-5-4-6-8-10/h4-8,11-12H,9H2,1-3H3,(H,16,18)(H,17,19).
What are the key properties of 1-N-tert-butyl-2-N-phenylcyclopropane-1,2-dicarboxamide?
1-N-tert-butyl-2-N-phenylcyclopropane-1,2-dicarboxamide has a molecular weight of 260.34 g/mol, XLogP of 2.18, 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-phenylcyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109139586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).