1-N-(2,4-dimethylphenyl)-1-N'-(2-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide

C22H26N2O3 — CID 108981252

IUPAC1-N-(2,4-dimethylphenyl)-1-N'-(2-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
SMILESCc1ccc(NC(=O)C2(C(=O)Nc3ccccc3OC(C)C)CC2)c(C)c1
InChIInChI=1S/C22H26N2O3/c1-14(2)27-19-8-6-5-7-18(19)24-21(26)22(11-12-22)20(25)23-17-10-9-15(3)13-16(17)4/h5-10,13-14H,11-12H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyBVQVMKQJJXVYGH-UHFFFAOYSA-N
MW366.46 g/mol
LogP4.45
Rot. Bonds6

About 1-N-(2,4-dimethylphenyl)-1-N'-(2-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide

1-N-(2,4-dimethylphenyl)-1-N'-(2-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108981252) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 1-N-(2,4-dimethylphenyl)-1-N'-(2-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N-(2,4-dimethylphenyl)-1-N'-(2-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
PubChem CID108981252
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name1-N-(2,4-dimethylphenyl)-1-N'-(2-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
SMILESCc1ccc(NC(=O)C2(C(=O)Nc3ccccc3OC(C)C)CC2)c(C)c1
InChIInChI=1S/C22H26N2O3/c1-14(2)27-19-8-6-5-7-18(19)24-21(26)22(11-12-22)20(25)23-17-10-9-15(3)13-16(17)4/h5-10,13-14H,11-12H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyBVQVMKQJJXVYGH-UHFFFAOYSA-N
XLogP4.45
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N-(4-acetamidophenyl)-1-N'-(2-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108983238
1-N-[4-(dimethylamino)phenyl]-1-N'-(2-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108983242
1-N-butyl-1-N'-(2-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108971107
1-N'-(2,4-dimethylphenyl)-1-N-(2-methylpropyl)cyclopropane-1,1-dicarboxamide
CID 108971263
1-N'-benzyl-1-N'-methyl-1-N-(2-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108975586
1-N-pentyl-1-N'-(2-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108979800
1-N-(2-methylphenyl)-1-N'-(2,4,6-trimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108980653
1-N'-(2,4-dimethylphenyl)-1-N-(4-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981229
1-N'-(2,6-dichlorophenyl)-1-N-(2,4-dimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981286
1-(2-bromo-4-methylphenyl)-3-(2-propan-2-yloxyphenyl)urea
CID 108992103
1-N'-(2,4-dimethylphenyl)-1-N-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108974963
1-N-(oxolan-2-ylmethyl)-1-N'-(2-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108973334

Frequently Asked Questions

What is the IUPAC name of 1-N-(2,4-dimethylphenyl)-1-N'-(2-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N-(2,4-dimethylphenyl)-1-N'-(2-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide (CID 108981252) is 1-N-(2,4-dimethylphenyl)-1-N'-(2-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N-(2,4-dimethylphenyl)-1-N'-(2-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N-(2,4-dimethylphenyl)-1-N'-(2-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide is Cc1ccc(NC(=O)C2(C(=O)Nc3ccccc3OC(C)C)CC2)c(C)c1.
What is the InChIKey of 1-N-(2,4-dimethylphenyl)-1-N'-(2-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is BVQVMKQJJXVYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-14(2)27-19-8-6-5-7-18(19)24-21(26)22(11-12-22)20(25)23-17-10-9-15(3)13-16(17)4/h5-10,13-14H,11-12H2,1-4H3,(H,23,25)(H,24,26).
What are the key properties of 1-N-(2,4-dimethylphenyl)-1-N'-(2-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide?
1-N-(2,4-dimethylphenyl)-1-N'-(2-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 366.46 g/mol, XLogP of 4.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,4-dimethylphenyl)-1-N'-(2-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108981252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).