1-N'-benzyl-1-N-(2,5-dimethylphenyl)-1-N'-ethylcyclopropane-1,1-dicarboxamide

C22H26N2O2 — CID 108976541

IUPAC1-N'-benzyl-1-N-(2,5-dimethylphenyl)-1-N'-ethylcyclopropane-1,1-dicarboxamide
SMILESCCN(Cc1ccccc1)C(=O)C1(C(=O)Nc2cc(C)ccc2C)CC1
InChIInChI=1S/C22H26N2O2/c1-4-24(15-18-8-6-5-7-9-18)21(26)22(12-13-22)20(25)23-19-14-16(2)10-11-17(19)3/h5-11,14H,4,12-13,15H2,1-3H3,(H,23,25)
InChIKeyLFRRKVHXAYJRCB-UHFFFAOYSA-N
MW350.46 g/mol
LogP4.07
Rot. Bonds6

About 1-N'-benzyl-1-N-(2,5-dimethylphenyl)-1-N'-ethylcyclopropane-1,1-dicarboxamide

1-N'-benzyl-1-N-(2,5-dimethylphenyl)-1-N'-ethylcyclopropane-1,1-dicarboxamide (PubChem CID 108976541) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 1-N'-benzyl-1-N-(2,5-dimethylphenyl)-1-N'-ethylcyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-benzyl-1-N-(2,5-dimethylphenyl)-1-N'-ethylcyclopropane-1,1-dicarboxamide
PubChem CID108976541
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name1-N'-benzyl-1-N-(2,5-dimethylphenyl)-1-N'-ethylcyclopropane-1,1-dicarboxamide
SMILESCCN(Cc1ccccc1)C(=O)C1(C(=O)Nc2cc(C)ccc2C)CC1
InChIInChI=1S/C22H26N2O2/c1-4-24(15-18-8-6-5-7-9-18)21(26)22(12-13-22)20(25)23-19-14-16(2)10-11-17(19)3/h5-11,14H,4,12-13,15H2,1-3H3,(H,23,25)
InChIKeyLFRRKVHXAYJRCB-UHFFFAOYSA-N
XLogP4.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-N'-benzyl-1-N-(2,5-dimethylphenyl)-1-N'-ethylcyclopropane-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

Related Compounds

1-N-(2,5-dimethylphenyl)-1-N',1-N'-diethylcyclopropane-1,1-dicarboxamide
CID 108979062
1-N-(3-acetamidophenyl)-1-N'-benzyl-1-N'-ethylcyclopropane-1,1-dicarboxamide
CID 108976586
1-N-(2,4-dimethylphenyl)-1-N',1-N'-diethylcyclopropane-1,1-dicarboxamide
CID 108979061
1-N'-benzyl-1-N'-ethyl-1-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,1-dicarboxamide
CID 108976615
1-N'-benzyl-1-N-(2,4-dimethylphenyl)-1-N'-methylcyclopropane-1,1-dicarboxamide
CID 108975549
1-N'-benzyl-1-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N'-ethylcyclopropane-1,1-dicarboxamide
CID 108976596
1-N'-benzyl-1-N-(4-ethoxyphenyl)-1-N'-ethylcyclopropane-1,1-dicarboxamide
CID 108976574
1-N'-benzyl-1-N-(3-chloro-4-fluorophenyl)-1-N'-ethylcyclopropane-1,1-dicarboxamide
CID 108976566
1-N-(2-bromo-4-methylphenyl)-1-N',1-N'-diethylcyclopropane-1,1-dicarboxamide
CID 108979129
6-N-benzyl-2-N-(2,5-dimethylphenyl)-6-N-ethylpyridine-2,6-dicarboxamide
CID 109098095
5-N-benzyl-3-N-(2,5-dimethylphenyl)-5-N-ethylpyridine-3,5-dicarboxamide
CID 109105863
1-N-(2,5-dimethylphenyl)-1-N'-(2-ethyl-6-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981307

Frequently Asked Questions

What is the IUPAC name of 1-N'-benzyl-1-N-(2,5-dimethylphenyl)-1-N'-ethylcyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-benzyl-1-N-(2,5-dimethylphenyl)-1-N'-ethylcyclopropane-1,1-dicarboxamide (CID 108976541) is 1-N'-benzyl-1-N-(2,5-dimethylphenyl)-1-N'-ethylcyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-benzyl-1-N-(2,5-dimethylphenyl)-1-N'-ethylcyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-benzyl-1-N-(2,5-dimethylphenyl)-1-N'-ethylcyclopropane-1,1-dicarboxamide is CCN(Cc1ccccc1)C(=O)C1(C(=O)Nc2cc(C)ccc2C)CC1.
What is the InChIKey of 1-N'-benzyl-1-N-(2,5-dimethylphenyl)-1-N'-ethylcyclopropane-1,1-dicarboxamide?
The InChIKey is LFRRKVHXAYJRCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-4-24(15-18-8-6-5-7-9-18)21(26)22(12-13-22)20(25)23-19-14-16(2)10-11-17(19)3/h5-11,14H,4,12-13,15H2,1-3H3,(H,23,25).
What are the key properties of 1-N'-benzyl-1-N-(2,5-dimethylphenyl)-1-N'-ethylcyclopropane-1,1-dicarboxamide?
1-N'-benzyl-1-N-(2,5-dimethylphenyl)-1-N'-ethylcyclopropane-1,1-dicarboxamide has a molecular weight of 350.46 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-benzyl-1-N-(2,5-dimethylphenyl)-1-N'-ethylcyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108976541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).