1-N-tert-butyl-2-N-(4-methylphenyl)cyclopropane-1,2-dicarboxamide

C16H22N2O2 — CID 109139589

IUPAC1-N-tert-butyl-2-N-(4-methylphenyl)cyclopropane-1,2-dicarboxamide
SMILESCc1ccc(NC(=O)C2CC2C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C16H22N2O2/c1-10-5-7-11(8-6-10)17-14(19)12-9-13(12)15(20)18-16(2,3)4/h5-8,12-13H,9H2,1-4H3,(H,17,19)(H,18,20)
InChIKeyBPYPNYLAIGVZLP-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.48
Rot. Bonds3

About 1-N-tert-butyl-2-N-(4-methylphenyl)cyclopropane-1,2-dicarboxamide

1-N-tert-butyl-2-N-(4-methylphenyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109139589) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-N-tert-butyl-2-N-(4-methylphenyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-tert-butyl-2-N-(4-methylphenyl)cyclopropane-1,2-dicarboxamide
PubChem CID109139589
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-N-tert-butyl-2-N-(4-methylphenyl)cyclopropane-1,2-dicarboxamide
SMILESCc1ccc(NC(=O)C2CC2C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C16H22N2O2/c1-10-5-7-11(8-6-10)17-14(19)12-9-13(12)15(20)18-16(2,3)4/h5-8,12-13H,9H2,1-4H3,(H,17,19)(H,18,20)
InChIKeyBPYPNYLAIGVZLP-UHFFFAOYSA-N
XLogP2.48
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-tert-butyl-2-N-(4-chlorophenyl)cyclopropane-1,2-dicarboxamide
CID 109139614
1-N-tert-butyl-2-N-phenylcyclopropane-1,2-dicarboxamide
CID 109139586
1-N-tert-butyl-2-N-(3,4-difluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109139691
4-methyl-2-[(4-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114390370
1-N-tert-butyl-2-N-(2,6-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109139597
2-N-(4-methylphenyl)-1-N-(4-phenoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109141175
1-N-tert-butyl-2-N-(2-tert-butylphenyl)cyclopropane-1,2-dicarboxamide
CID 109139608
2-N-(4-bromophenyl)-1-N-(2,5-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141603
1-N-(2,5-dimethylphenyl)-2-N-(4-fluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109141591
2-N-(4-chlorophenyl)-1-N-(2,5-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141594
(1R,2S)-N-(4-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 100939209
N-(4-methylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 42906596

Frequently Asked Questions

What is the IUPAC name of 1-N-tert-butyl-2-N-(4-methylphenyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-tert-butyl-2-N-(4-methylphenyl)cyclopropane-1,2-dicarboxamide (CID 109139589) is 1-N-tert-butyl-2-N-(4-methylphenyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-tert-butyl-2-N-(4-methylphenyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-tert-butyl-2-N-(4-methylphenyl)cyclopropane-1,2-dicarboxamide is Cc1ccc(NC(=O)C2CC2C(=O)NC(C)(C)C)cc1.
What is the InChIKey of 1-N-tert-butyl-2-N-(4-methylphenyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is BPYPNYLAIGVZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-10-5-7-11(8-6-10)17-14(19)12-9-13(12)15(20)18-16(2,3)4/h5-8,12-13H,9H2,1-4H3,(H,17,19)(H,18,20).
What are the key properties of 1-N-tert-butyl-2-N-(4-methylphenyl)cyclopropane-1,2-dicarboxamide?
1-N-tert-butyl-2-N-(4-methylphenyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 274.36 g/mol, XLogP of 2.48, 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-(4-methylphenyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109139589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).