1-N'-(3,5-dimethylphenyl)-1-N-(4-ethylphenyl)cyclopropane-1,1-dicarboxamide

C21H24N2O2 — CID 108981461

IUPAC1-N'-(3,5-dimethylphenyl)-1-N-(4-ethylphenyl)cyclopropane-1,1-dicarboxamide
SMILESCCc1ccc(NC(=O)C2(C(=O)Nc3cc(C)cc(C)c3)CC2)cc1
InChIInChI=1S/C21H24N2O2/c1-4-16-5-7-17(8-6-16)22-19(24)21(9-10-21)20(25)23-18-12-14(2)11-15(3)13-18/h5-8,11-13H,4,9-10H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyUAOPNBVZVDSNQP-UHFFFAOYSA-N
MW336.44 g/mol
LogP4.22
Rot. Bonds5

About 1-N'-(3,5-dimethylphenyl)-1-N-(4-ethylphenyl)cyclopropane-1,1-dicarboxamide

1-N'-(3,5-dimethylphenyl)-1-N-(4-ethylphenyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108981461) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 1-N'-(3,5-dimethylphenyl)-1-N-(4-ethylphenyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-(3,5-dimethylphenyl)-1-N-(4-ethylphenyl)cyclopropane-1,1-dicarboxamide
PubChem CID108981461
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name1-N'-(3,5-dimethylphenyl)-1-N-(4-ethylphenyl)cyclopropane-1,1-dicarboxamide
SMILESCCc1ccc(NC(=O)C2(C(=O)Nc3cc(C)cc(C)c3)CC2)cc1
InChIInChI=1S/C21H24N2O2/c1-4-16-5-7-17(8-6-16)22-19(24)21(9-10-21)20(25)23-18-12-14(2)11-15(3)13-18/h5-8,11-13H,4,9-10H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyUAOPNBVZVDSNQP-UHFFFAOYSA-N
XLogP4.22
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N-(4-chlorophenyl)-1-N'-(3,5-dimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981473
1-N'-(2-chlorophenyl)-1-N-(4-ethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981773
1-N'-(2-bromophenyl)-1-N-(4-ethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981811
1-N'-(3,5-dimethylphenyl)-1-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981505
1-N'-(4-ethylphenyl)-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide
CID 108970880
1-N'-(4-ethylphenyl)-1-N-(2-methylpropyl)cyclopropane-1,1-dicarboxamide
CID 108971270
1-N'-(3,5-dichlorophenyl)-1-N-(3,5-dimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981521
1-N'-(3,5-dimethylphenyl)-1-N-(4-piperidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981506
1-N'-(4-ethylphenyl)-1-N-(3-methylbutyl)cyclopropane-1,1-dicarboxamide
CID 108979652
1-[(3,5-dimethylphenyl)methyl]-3-(4-ethylphenyl)urea
CID 3777161
ethyl 4-[[1-[(4-methylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 108980918
1-N'-(3,5-dimethylphenyl)-1-N-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108974966

Frequently Asked Questions

What is the IUPAC name of 1-N'-(3,5-dimethylphenyl)-1-N-(4-ethylphenyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-(3,5-dimethylphenyl)-1-N-(4-ethylphenyl)cyclopropane-1,1-dicarboxamide (CID 108981461) is 1-N'-(3,5-dimethylphenyl)-1-N-(4-ethylphenyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-(3,5-dimethylphenyl)-1-N-(4-ethylphenyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-(3,5-dimethylphenyl)-1-N-(4-ethylphenyl)cyclopropane-1,1-dicarboxamide is CCc1ccc(NC(=O)C2(C(=O)Nc3cc(C)cc(C)c3)CC2)cc1.
What is the InChIKey of 1-N'-(3,5-dimethylphenyl)-1-N-(4-ethylphenyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is UAOPNBVZVDSNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-4-16-5-7-17(8-6-16)22-19(24)21(9-10-21)20(25)23-18-12-14(2)11-15(3)13-18/h5-8,11-13H,4,9-10H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of 1-N'-(3,5-dimethylphenyl)-1-N-(4-ethylphenyl)cyclopropane-1,1-dicarboxamide?
1-N'-(3,5-dimethylphenyl)-1-N-(4-ethylphenyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 336.44 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(3,5-dimethylphenyl)-1-N-(4-ethylphenyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108981461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).