2-N-(3-acetylphenyl)-1-N-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,2-dicarboxamide

C23H26N2O3 — CID 109142532

IUPAC2-N-(3-acetylphenyl)-1-N-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,2-dicarboxamide
SMILESCC(=O)c1cccc(NC(=O)C2CC2C(=O)Nc2c(C)cccc2C(C)C)c1
InChIInChI=1S/C23H26N2O3/c1-13(2)18-10-5-7-14(3)21(18)25-23(28)20-12-19(20)22(27)24-17-9-6-8-16(11-17)15(4)26/h5-11,13,19-20H,12H2,1-4H3,(H,24,27)(H,25,28)
InChIKeyMBJWNKDBOUKQLA-UHFFFAOYSA-N
MW378.47 g/mol
LogP4.53
Rot. Bonds6

About 2-N-(3-acetylphenyl)-1-N-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,2-dicarboxamide

2-N-(3-acetylphenyl)-1-N-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109142532) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is 2-N-(3-acetylphenyl)-1-N-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-(3-acetylphenyl)-1-N-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,2-dicarboxamide
PubChem CID109142532
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name2-N-(3-acetylphenyl)-1-N-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,2-dicarboxamide
SMILESCC(=O)c1cccc(NC(=O)C2CC2C(=O)Nc2c(C)cccc2C(C)C)c1
InChIInChI=1S/C23H26N2O3/c1-13(2)18-10-5-7-14(3)21(18)25-23(28)20-12-19(20)22(27)24-17-9-6-8-16(11-17)15(4)26/h5-11,13,19-20H,12H2,1-4H3,(H,24,27)(H,25,28)
InChIKeyMBJWNKDBOUKQLA-UHFFFAOYSA-N
XLogP4.53
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-N-(3-acetylphenyl)-1-N-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,2-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

methyl 4-[[2-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 109142538
2-N-(3-acetylphenyl)-1-N-(2,5-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141618
2-N-(3-acetylphenyl)-1-N-(2,6-diethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109142489
1-N-(2-methyl-6-propan-2-ylphenyl)-2-N-propylcyclopropane-1,2-dicarboxamide
CID 109130528
2-N-(5-methyl-1,2-oxazol-3-yl)-1-N-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,2-dicarboxamide
CID 109142553
trans-(1R,2R)-N-(3-acetylphenyl)-2-methylcyclopropane-1-carboxamide
CID 2111342
N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 729062
1-N-(3-acetylphenyl)-2-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,2-dicarboxamide
CID 109143768
2-N-(3-acetamidophenyl)-1-N-(2,4,6-trimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109142442
2-(N,3-diacetylanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 113175474
N-(3-acetylphenyl)-2-(2-methyl-6-propan-2-ylanilino)pyridine-4-carboxamide
CID 109177154
N-(3-acetamidophenyl)-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide
CID 108954586

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-acetylphenyl)-1-N-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 2-N-(3-acetylphenyl)-1-N-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,2-dicarboxamide (CID 109142532) is 2-N-(3-acetylphenyl)-1-N-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 2-N-(3-acetylphenyl)-1-N-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 2-N-(3-acetylphenyl)-1-N-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,2-dicarboxamide is CC(=O)c1cccc(NC(=O)C2CC2C(=O)Nc2c(C)cccc2C(C)C)c1.
What is the InChIKey of 2-N-(3-acetylphenyl)-1-N-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is MBJWNKDBOUKQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-13(2)18-10-5-7-14(3)21(18)25-23(28)20-12-19(20)22(27)24-17-9-6-8-16(11-17)15(4)26/h5-11,13,19-20H,12H2,1-4H3,(H,24,27)(H,25,28).
What are the key properties of 2-N-(3-acetylphenyl)-1-N-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,2-dicarboxamide?
2-N-(3-acetylphenyl)-1-N-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 378.47 g/mol, XLogP of 4.53, 6 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-methyl-6-propan-2-ylphenyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109142532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).