1-N-[2-(cyclohexen-1-yl)ethyl]-1-N'-(2,4-dimethylphenyl)cyclopropane-1,1-dicarboxamide

C21H28N2O2 — CID 108972581

IUPAC1-N-[2-(cyclohexen-1-yl)ethyl]-1-N'-(2,4-dimethylphenyl)cyclopropane-1,1-dicarboxamide
SMILESCc1ccc(NC(=O)C2(C(=O)NCCC3=CCCCC3)CC2)c(C)c1
InChIInChI=1S/C21H28N2O2/c1-15-8-9-18(16(2)14-15)23-20(25)21(11-12-21)19(24)22-13-10-17-6-4-3-5-7-17/h6,8-9,14H,3-5,7,10-13H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyMTPHYLSIVQFTNC-UHFFFAOYSA-N
MW340.47 g/mol
LogP4.03
Rot. Bonds6

About 1-N-[2-(cyclohexen-1-yl)ethyl]-1-N'-(2,4-dimethylphenyl)cyclopropane-1,1-dicarboxamide

1-N-[2-(cyclohexen-1-yl)ethyl]-1-N'-(2,4-dimethylphenyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108972581) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 1-N-[2-(cyclohexen-1-yl)ethyl]-1-N'-(2,4-dimethylphenyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N-[2-(cyclohexen-1-yl)ethyl]-1-N'-(2,4-dimethylphenyl)cyclopropane-1,1-dicarboxamide
PubChem CID108972581
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name1-N-[2-(cyclohexen-1-yl)ethyl]-1-N'-(2,4-dimethylphenyl)cyclopropane-1,1-dicarboxamide
SMILESCc1ccc(NC(=O)C2(C(=O)NCCC3=CCCCC3)CC2)c(C)c1
InChIInChI=1S/C21H28N2O2/c1-15-8-9-18(16(2)14-15)23-20(25)21(11-12-21)19(24)22-13-10-17-6-4-3-5-7-17/h6,8-9,14H,3-5,7,10-13H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyMTPHYLSIVQFTNC-UHFFFAOYSA-N
XLogP4.03
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N-[2-(cyclohexen-1-yl)ethyl]-1-N'-(2,5-dichlorophenyl)cyclopropane-1,1-dicarboxamide
CID 108972648
1-N-[2-(cyclohexen-1-yl)ethyl]-1-N'-(2,6-difluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108972660
1-N-[2-(cyclohexen-1-yl)ethyl]-1-N'-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108972518
1-N-[2-(cyclohexen-1-yl)ethyl]-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide
CID 108970398
1-N-[2-(cyclohexen-1-yl)ethyl]-1-N'-[4-(dimethylamino)phenyl]cyclopropane-1,1-dicarboxamide
CID 108972632
1-N'-(2,4-dimethylphenyl)-1-N-(2-methylpropyl)cyclopropane-1,1-dicarboxamide
CID 108971263
1-N-[2-(cyclohexen-1-yl)ethyl]-1-N'-[4-(diethylamino)phenyl]cyclopropane-1,1-dicarboxamide
CID 108972633
1-N-[2-(cyclohexen-1-yl)ethyl]-1-N'-[4-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide
CID 108972624
N-[2-(cyclohexen-1-yl)ethyl]-2-(2,5-dimethylphenyl)acetamide
CID 92682179
1-N-[2-(cyclohexen-1-yl)ethyl]-1-N',1-N'-diethylcyclopropane-1,1-dicarboxamide
CID 108972559
1-N-[2-(cyclohexen-1-yl)ethyl]-1-N'-(4-piperidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108972635
1-N'-(2,4-dimethylphenyl)-1-N-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108974963

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(cyclohexen-1-yl)ethyl]-1-N'-(2,4-dimethylphenyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N-[2-(cyclohexen-1-yl)ethyl]-1-N'-(2,4-dimethylphenyl)cyclopropane-1,1-dicarboxamide (CID 108972581) is 1-N-[2-(cyclohexen-1-yl)ethyl]-1-N'-(2,4-dimethylphenyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N-[2-(cyclohexen-1-yl)ethyl]-1-N'-(2,4-dimethylphenyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N-[2-(cyclohexen-1-yl)ethyl]-1-N'-(2,4-dimethylphenyl)cyclopropane-1,1-dicarboxamide is Cc1ccc(NC(=O)C2(C(=O)NCCC3=CCCCC3)CC2)c(C)c1.
What is the InChIKey of 1-N-[2-(cyclohexen-1-yl)ethyl]-1-N'-(2,4-dimethylphenyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is MTPHYLSIVQFTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-15-8-9-18(16(2)14-15)23-20(25)21(11-12-21)19(24)22-13-10-17-6-4-3-5-7-17/h6,8-9,14H,3-5,7,10-13H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 1-N-[2-(cyclohexen-1-yl)ethyl]-1-N'-(2,4-dimethylphenyl)cyclopropane-1,1-dicarboxamide?
1-N-[2-(cyclohexen-1-yl)ethyl]-1-N'-(2,4-dimethylphenyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 340.47 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(cyclohexen-1-yl)ethyl]-1-N'-(2,4-dimethylphenyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108972581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).