2-N-(3-acetylphenyl)-1-N-(2,6-diethylphenyl)cyclopropane-1,2-dicarboxamide

C23H26N2O3 — CID 109142489

IUPAC2-N-(3-acetylphenyl)-1-N-(2,6-diethylphenyl)cyclopropane-1,2-dicarboxamide
SMILESCCc1cccc(CC)c1NC(=O)C1CC1C(=O)Nc1cccc(C(C)=O)c1
InChIInChI=1S/C23H26N2O3/c1-4-15-8-6-9-16(5-2)21(15)25-23(28)20-13-19(20)22(27)24-18-11-7-10-17(12-18)14(3)26/h6-12,19-20H,4-5,13H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyCFZVGMRMSFUSLP-UHFFFAOYSA-N
MW378.47 g/mol
LogP4.23
Rot. Bonds7

About 2-N-(3-acetylphenyl)-1-N-(2,6-diethylphenyl)cyclopropane-1,2-dicarboxamide

2-N-(3-acetylphenyl)-1-N-(2,6-diethylphenyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109142489) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is 2-N-(3-acetylphenyl)-1-N-(2,6-diethylphenyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-(3-acetylphenyl)-1-N-(2,6-diethylphenyl)cyclopropane-1,2-dicarboxamide
PubChem CID109142489
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name2-N-(3-acetylphenyl)-1-N-(2,6-diethylphenyl)cyclopropane-1,2-dicarboxamide
SMILESCCc1cccc(CC)c1NC(=O)C1CC1C(=O)Nc1cccc(C(C)=O)c1
InChIInChI=1S/C23H26N2O3/c1-4-15-8-6-9-16(5-2)21(15)25-23(28)20-13-19(20)22(27)24-18-11-7-10-17(12-18)14(3)26/h6-12,19-20H,4-5,13H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyCFZVGMRMSFUSLP-UHFFFAOYSA-N
XLogP4.23
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1R,2R)-N-(3-acetylphenyl)-2-methylcyclopropane-1-carboxamide
CID 2111342
2-N-(3-acetylphenyl)-1-N-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,2-dicarboxamide
CID 109142532
1-N-(3-acetylphenyl)-2-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109137659
2-N-(3-acetamidophenyl)-1-N-(2-ethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109142024
1-N-(3-acetylphenyl)-2-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,2-dicarboxamide
CID 109143768
N-(3-acetylphenyl)-2-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109134431
2-N-cyclopropyl-1-N-(2,6-diethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109130924
2-N-(3-acetylphenyl)-1-N-(2,5-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141618
N-(3-acetylphenyl)-2-hydroxycyclopentane-1-carboxamide
CID 110013625
N-(3-acetylphenyl)-2-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109138446
1-N-(2,6-diethylphenyl)-2-N-(2-methoxyethyl)cyclopropane-1,2-dicarboxamide
CID 109132998
1-N-(2,6-diethylphenyl)-2-N-[2-(dimethylamino)ethyl]cyclopropane-1,2-dicarboxamide
CID 109133726

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-acetylphenyl)-1-N-(2,6-diethylphenyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 2-N-(3-acetylphenyl)-1-N-(2,6-diethylphenyl)cyclopropane-1,2-dicarboxamide (CID 109142489) is 2-N-(3-acetylphenyl)-1-N-(2,6-diethylphenyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 2-N-(3-acetylphenyl)-1-N-(2,6-diethylphenyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 2-N-(3-acetylphenyl)-1-N-(2,6-diethylphenyl)cyclopropane-1,2-dicarboxamide is CCc1cccc(CC)c1NC(=O)C1CC1C(=O)Nc1cccc(C(C)=O)c1.
What is the InChIKey of 2-N-(3-acetylphenyl)-1-N-(2,6-diethylphenyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is CFZVGMRMSFUSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-4-15-8-6-9-16(5-2)21(15)25-23(28)20-13-19(20)22(27)24-18-11-7-10-17(12-18)14(3)26/h6-12,19-20H,4-5,13H2,1-3H3,(H,24,27)(H,25,28).
What are the key properties of 2-N-(3-acetylphenyl)-1-N-(2,6-diethylphenyl)cyclopropane-1,2-dicarboxamide?
2-N-(3-acetylphenyl)-1-N-(2,6-diethylphenyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 378.47 g/mol, XLogP of 4.23, 7 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-(2,6-diethylphenyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109142489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).