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

C18H26N2O2 — CID 108979652

IUPAC1-N'-(4-ethylphenyl)-1-N-(3-methylbutyl)cyclopropane-1,1-dicarboxamide
SMILESCCc1ccc(NC(=O)C2(C(=O)NCCC(C)C)CC2)cc1
InChIInChI=1S/C18H26N2O2/c1-4-14-5-7-15(8-6-14)20-17(22)18(10-11-18)16(21)19-12-9-13(2)3/h5-8,13H,4,9-12H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyCHGAJRVZJXBLAP-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.13
Rot. Bonds7

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

1-N'-(4-ethylphenyl)-1-N-(3-methylbutyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108979652) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-N'-(4-ethylphenyl)-1-N-(3-methylbutyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-(4-ethylphenyl)-1-N-(3-methylbutyl)cyclopropane-1,1-dicarboxamide
PubChem CID108979652
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name1-N'-(4-ethylphenyl)-1-N-(3-methylbutyl)cyclopropane-1,1-dicarboxamide
SMILESCCc1ccc(NC(=O)C2(C(=O)NCCC(C)C)CC2)cc1
InChIInChI=1S/C18H26N2O2/c1-4-14-5-7-15(8-6-14)20-17(22)18(10-11-18)16(21)19-12-9-13(2)3/h5-8,13H,4,9-12H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyCHGAJRVZJXBLAP-UHFFFAOYSA-N
XLogP3.13
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.13
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-ethylphenyl)-1-N-(2-methylpropyl)cyclopropane-1,1-dicarboxamide
CID 108971270
1-N'-[4-(dimethylamino)phenyl]-1-N-(3-methylbutyl)cyclopropane-1,1-dicarboxamide
CID 108979700
1-N'-(3,4-dimethylphenyl)-1-N-(3-methylbutyl)cyclopropane-1,1-dicarboxamide
CID 108979647
1-N'-(4-ethylphenyl)-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide
CID 108970880
1-N'-(2-ethyl-6-methylphenyl)-1-N-(3-methylbutyl)cyclopropane-1,1-dicarboxamide
CID 108979654
1-N-(3-methylbutyl)-1-N'-(2,3,4-trifluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108979741
1-N'-(3,5-dimethylphenyl)-1-N-(4-ethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981461
1-N'-(4-acetamidophenyl)-1-N-(2-methylpropyl)cyclopropane-1,1-dicarboxamide
CID 108971312
1-N-(3-methylbutyl)-1-N'-(2,4,6-trimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108979657
ethyl 4-[[1-(2-methylpropylcarbamoyl)cyclopropanecarbonyl]amino]benzoate
CID 108971338
1-(3-methylbutylcarbamoyl)cyclopropane-1-carboxylic acid
CID 62096934
1-N-butyl-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108971062

Frequently Asked Questions

What is the IUPAC name of 1-N'-(4-ethylphenyl)-1-N-(3-methylbutyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-(4-ethylphenyl)-1-N-(3-methylbutyl)cyclopropane-1,1-dicarboxamide (CID 108979652) is 1-N'-(4-ethylphenyl)-1-N-(3-methylbutyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-(4-ethylphenyl)-1-N-(3-methylbutyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-(4-ethylphenyl)-1-N-(3-methylbutyl)cyclopropane-1,1-dicarboxamide is CCc1ccc(NC(=O)C2(C(=O)NCCC(C)C)CC2)cc1.
What is the InChIKey of 1-N'-(4-ethylphenyl)-1-N-(3-methylbutyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is CHGAJRVZJXBLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-4-14-5-7-15(8-6-14)20-17(22)18(10-11-18)16(21)19-12-9-13(2)3/h5-8,13H,4,9-12H2,1-3H3,(H,19,21)(H,20,22).
What are the key properties of 1-N'-(4-ethylphenyl)-1-N-(3-methylbutyl)cyclopropane-1,1-dicarboxamide?
1-N'-(4-ethylphenyl)-1-N-(3-methylbutyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 302.42 g/mol, XLogP of 3.13, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(4-ethylphenyl)-1-N-(3-methylbutyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108979652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).