2-N-(3-acetylphenyl)-1-N-(2,5-dimethylphenyl)cyclopropane-1,2-dicarboxamide

C21H22N2O3 — CID 109141618

IUPAC2-N-(3-acetylphenyl)-1-N-(2,5-dimethylphenyl)cyclopropane-1,2-dicarboxamide
SMILESCC(=O)c1cccc(NC(=O)C2CC2C(=O)Nc2cc(C)ccc2C)c1
InChIInChI=1S/C21H22N2O3/c1-12-7-8-13(2)19(9-12)23-21(26)18-11-17(18)20(25)22-16-6-4-5-15(10-16)14(3)24/h4-10,17-18H,11H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyKUVSWLLRKJJBBX-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.72
Rot. Bonds5

About 2-N-(3-acetylphenyl)-1-N-(2,5-dimethylphenyl)cyclopropane-1,2-dicarboxamide

2-N-(3-acetylphenyl)-1-N-(2,5-dimethylphenyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109141618) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-N-(3-acetylphenyl)-1-N-(2,5-dimethylphenyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-(3-acetylphenyl)-1-N-(2,5-dimethylphenyl)cyclopropane-1,2-dicarboxamide
PubChem CID109141618
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name2-N-(3-acetylphenyl)-1-N-(2,5-dimethylphenyl)cyclopropane-1,2-dicarboxamide
SMILESCC(=O)c1cccc(NC(=O)C2CC2C(=O)Nc2cc(C)ccc2C)c1
InChIInChI=1S/C21H22N2O3/c1-12-7-8-13(2)19(9-12)23-21(26)18-11-17(18)20(25)22-16-6-4-5-15(10-16)14(3)24/h4-10,17-18H,11H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyKUVSWLLRKJJBBX-UHFFFAOYSA-N
XLogP3.72
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(2,5-dimethylphenyl)-2-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141010
1-N-(2,5-dimethylphenyl)-2-N-[3-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide
CID 109141616
2-N-(3,4-dichlorophenyl)-1-N-(2,5-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141641
2-N-(3-acetylphenyl)-1-N-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,2-dicarboxamide
CID 109142532
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
trans-(1R,2R)-N-(3-acetylphenyl)-2-methylcyclopropane-1-carboxamide
CID 2111342
2-N-(3-chloro-2-methylphenyl)-1-N-(2,5-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141595
2-N-(2-bromophenyl)-1-N-(2,5-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141632
1-N-(2,4-dimethylphenyl)-2-N-phenylcyclopropane-1,2-dicarboxamide
CID 109140799
2-N-(3-acetylphenyl)-1-N-(2,6-diethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109142489

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-acetylphenyl)-1-N-(2,5-dimethylphenyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 2-N-(3-acetylphenyl)-1-N-(2,5-dimethylphenyl)cyclopropane-1,2-dicarboxamide (CID 109141618) is 2-N-(3-acetylphenyl)-1-N-(2,5-dimethylphenyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 2-N-(3-acetylphenyl)-1-N-(2,5-dimethylphenyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 2-N-(3-acetylphenyl)-1-N-(2,5-dimethylphenyl)cyclopropane-1,2-dicarboxamide is CC(=O)c1cccc(NC(=O)C2CC2C(=O)Nc2cc(C)ccc2C)c1.
What is the InChIKey of 2-N-(3-acetylphenyl)-1-N-(2,5-dimethylphenyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is KUVSWLLRKJJBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-12-7-8-13(2)19(9-12)23-21(26)18-11-17(18)20(25)22-16-6-4-5-15(10-16)14(3)24/h4-10,17-18H,11H2,1-3H3,(H,22,25)(H,23,26).
What are the key properties of 2-N-(3-acetylphenyl)-1-N-(2,5-dimethylphenyl)cyclopropane-1,2-dicarboxamide?
2-N-(3-acetylphenyl)-1-N-(2,5-dimethylphenyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 350.42 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-acetylphenyl)-1-N-(2,5-dimethylphenyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109141618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).