1-N'-butyl-1-N'-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide

C17H24N2O2 — CID 46994186

IUPAC1-N'-butyl-1-N'-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
SMILESCCCCN(Cc1ccccc1C)C(=O)C1(C(N)=O)CC1
InChIInChI=1S/C17H24N2O2/c1-3-4-11-19(12-14-8-6-5-7-13(14)2)16(21)17(9-10-17)15(18)20/h5-8H,3-4,9-12H2,1-2H3,(H2,18,20)
InChIKeyYTSSJUWQMNBWIJ-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.39
Rot. Bonds7

About 1-N'-butyl-1-N'-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide

1-N'-butyl-1-N'-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide (PubChem CID 46994186) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-N'-butyl-1-N'-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-butyl-1-N'-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
PubChem CID46994186
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1-N'-butyl-1-N'-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
SMILESCCCCN(Cc1ccccc1C)C(=O)C1(C(N)=O)CC1
InChIInChI=1S/C17H24N2O2/c1-3-4-11-19(12-14-8-6-5-7-13(14)2)16(21)17(9-10-17)15(18)20/h5-8H,3-4,9-12H2,1-2H3,(H2,18,20)
InChIKeyYTSSJUWQMNBWIJ-UHFFFAOYSA-N
XLogP2.39
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-N'-butyl-1-N'-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-N'-butyl-1-N'-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-butyl-1-N'-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide (CID 46994186) is 1-N'-butyl-1-N'-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-butyl-1-N'-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-butyl-1-N'-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide is CCCCN(Cc1ccccc1C)C(=O)C1(C(N)=O)CC1.
What is the InChIKey of 1-N'-butyl-1-N'-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide?
The InChIKey is YTSSJUWQMNBWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-3-4-11-19(12-14-8-6-5-7-13(14)2)16(21)17(9-10-17)15(18)20/h5-8H,3-4,9-12H2,1-2H3,(H2,18,20).
What are the key properties of 1-N'-butyl-1-N'-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide?
1-N'-butyl-1-N'-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide has a molecular weight of 288.39 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-butyl-1-N'-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 46994186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).