2-N-(3-acetamidophenyl)-1-N-(2,4,6-trimethylphenyl)cyclopropane-1,2-dicarboxamide

C22H25N3O3 — CID 109142442

IUPAC2-N-(3-acetamidophenyl)-1-N-(2,4,6-trimethylphenyl)cyclopropane-1,2-dicarboxamide
SMILESCC(=O)Nc1cccc(NC(=O)C2CC2C(=O)Nc2c(C)cc(C)cc2C)c1
InChIInChI=1S/C22H25N3O3/c1-12-8-13(2)20(14(3)9-12)25-22(28)19-11-18(19)21(27)24-17-7-5-6-16(10-17)23-15(4)26/h5-10,18-19H,11H2,1-4H3,(H,23,26)(H,24,27)(H,25,28)
InChIKeyVPFFMOPZZNICFE-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.78
Rot. Bonds5

About 2-N-(3-acetamidophenyl)-1-N-(2,4,6-trimethylphenyl)cyclopropane-1,2-dicarboxamide

2-N-(3-acetamidophenyl)-1-N-(2,4,6-trimethylphenyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109142442) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 2-N-(3-acetamidophenyl)-1-N-(2,4,6-trimethylphenyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-(3-acetamidophenyl)-1-N-(2,4,6-trimethylphenyl)cyclopropane-1,2-dicarboxamide
PubChem CID109142442
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name2-N-(3-acetamidophenyl)-1-N-(2,4,6-trimethylphenyl)cyclopropane-1,2-dicarboxamide
SMILESCC(=O)Nc1cccc(NC(=O)C2CC2C(=O)Nc2c(C)cc(C)cc2C)c1
InChIInChI=1S/C22H25N3O3/c1-12-8-13(2)20(14(3)9-12)25-22(28)19-11-18(19)21(27)24-17-7-5-6-16(10-17)23-15(4)26/h5-10,18-19H,11H2,1-4H3,(H,23,26)(H,24,27)(H,25,28)
InChIKeyVPFFMOPZZNICFE-UHFFFAOYSA-N
XLogP3.78
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(4-acetamidophenyl)-1-N-(2-chloro-4,6-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109143237
1-N-(2-chloro-4,6-dimethylphenyl)-2-N-(3-chlorophenyl)cyclopropane-1,2-dicarboxamide
CID 109142871
1-N-(3-acetamidophenyl)-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135544
2-N-(4-ethoxyphenyl)-1-N-(2,4,6-trimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109142430
1-N-(3-acetamidophenyl)-2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1,2-dicarboxamide
CID 109143830
2-N-(3-acetamidophenyl)-1-N-(2-ethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109142024
1-N-(2,5-dimethylphenyl)-2-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141010
2-N-(2-tert-butylphenyl)-1-N-(2,4,6-trimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109142412
2-N-(3,4-dimethoxyphenyl)-1-N-(2,6-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141860
2-N-(3-acetylphenyl)-1-N-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,2-dicarboxamide
CID 109142532
2-N-(3-fluorophenyl)-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141073
3-(3-acetamidoanilino)-N-(2,4,6-trimethylphenyl)propanamide
CID 109036992

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-acetamidophenyl)-1-N-(2,4,6-trimethylphenyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 2-N-(3-acetamidophenyl)-1-N-(2,4,6-trimethylphenyl)cyclopropane-1,2-dicarboxamide (CID 109142442) is 2-N-(3-acetamidophenyl)-1-N-(2,4,6-trimethylphenyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 2-N-(3-acetamidophenyl)-1-N-(2,4,6-trimethylphenyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 2-N-(3-acetamidophenyl)-1-N-(2,4,6-trimethylphenyl)cyclopropane-1,2-dicarboxamide is CC(=O)Nc1cccc(NC(=O)C2CC2C(=O)Nc2c(C)cc(C)cc2C)c1.
What is the InChIKey of 2-N-(3-acetamidophenyl)-1-N-(2,4,6-trimethylphenyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is VPFFMOPZZNICFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-12-8-13(2)20(14(3)9-12)25-22(28)19-11-18(19)21(27)24-17-7-5-6-16(10-17)23-15(4)26/h5-10,18-19H,11H2,1-4H3,(H,23,26)(H,24,27)(H,25,28).
What are the key properties of 2-N-(3-acetamidophenyl)-1-N-(2,4,6-trimethylphenyl)cyclopropane-1,2-dicarboxamide?
2-N-(3-acetamidophenyl)-1-N-(2,4,6-trimethylphenyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 379.46 g/mol, XLogP of 3.78, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-acetamidophenyl)-1-N-(2,4,6-trimethylphenyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109142442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).