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

C18H26N2O2 — CID 108979647

IUPAC1-N'-(3,4-dimethylphenyl)-1-N-(3-methylbutyl)cyclopropane-1,1-dicarboxamide
SMILESCc1ccc(NC(=O)C2(C(=O)NCCC(C)C)CC2)cc1C
InChIInChI=1S/C18H26N2O2/c1-12(2)7-10-19-16(21)18(8-9-18)17(22)20-15-6-5-13(3)14(4)11-15/h5-6,11-12H,7-10H2,1-4H3,(H,19,21)(H,20,22)
InChIKeyPFZWIOGLHQZZEP-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.18
Rot. Bonds6

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

1-N'-(3,4-dimethylphenyl)-1-N-(3-methylbutyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108979647) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-N'-(3,4-dimethylphenyl)-1-N-(3-methylbutyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-(3,4-dimethylphenyl)-1-N-(3-methylbutyl)cyclopropane-1,1-dicarboxamide
PubChem CID108979647
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name1-N'-(3,4-dimethylphenyl)-1-N-(3-methylbutyl)cyclopropane-1,1-dicarboxamide
SMILESCc1ccc(NC(=O)C2(C(=O)NCCC(C)C)CC2)cc1C
InChIInChI=1S/C18H26N2O2/c1-12(2)7-10-19-16(21)18(8-9-18)17(22)20-15-6-5-13(3)14(4)11-15/h5-6,11-12H,7-10H2,1-4H3,(H,19,21)(H,20,22)
InChIKeyPFZWIOGLHQZZEP-UHFFFAOYSA-N
XLogP3.18
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.18
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-(3-methylbutyl)cyclopropane-1,1-dicarboxamide
CID 108979652
1-N-(3-methylbutyl)-1-N'-(2,4,6-trimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108979657
1-N'-[4-(dimethylamino)phenyl]-1-N-(3-methylbutyl)cyclopropane-1,1-dicarboxamide
CID 108979700
1-N'-(3,4-dimethylphenyl)-1-N-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108974965
1-N'-(2-ethyl-6-methylphenyl)-1-N-(3-methylbutyl)cyclopropane-1,1-dicarboxamide
CID 108979654
1-N-(4-tert-butylphenyl)-1-N'-(3,4-dimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981391
1-N-[4-(dimethylamino)phenyl]-1-N'-(3,4-dimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981425
1-N'-(3,4-dimethylphenyl)-1-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977669
1-(3-methylbutylcarbamoyl)cyclopropane-1-carboxylic acid
CID 62096934
1-N-cyclopentyl-1-N'-(3,4-dimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108971842
1-N-(3-methylbutyl)-1-N'-(2,3,4-trifluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108979741
1-N'-[(3,4-dimethoxyphenyl)methyl]-1-N-(3-methylbutyl)cyclopropane-1,1-dicarboxamide
CID 108978428

Frequently Asked Questions

What is the IUPAC name of 1-N'-(3,4-dimethylphenyl)-1-N-(3-methylbutyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-(3,4-dimethylphenyl)-1-N-(3-methylbutyl)cyclopropane-1,1-dicarboxamide (CID 108979647) is 1-N'-(3,4-dimethylphenyl)-1-N-(3-methylbutyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-(3,4-dimethylphenyl)-1-N-(3-methylbutyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-(3,4-dimethylphenyl)-1-N-(3-methylbutyl)cyclopropane-1,1-dicarboxamide is Cc1ccc(NC(=O)C2(C(=O)NCCC(C)C)CC2)cc1C.
What is the InChIKey of 1-N'-(3,4-dimethylphenyl)-1-N-(3-methylbutyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is PFZWIOGLHQZZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-12(2)7-10-19-16(21)18(8-9-18)17(22)20-15-6-5-13(3)14(4)11-15/h5-6,11-12H,7-10H2,1-4H3,(H,19,21)(H,20,22).
What are the key properties of 1-N'-(3,4-dimethylphenyl)-1-N-(3-methylbutyl)cyclopropane-1,1-dicarboxamide?
1-N'-(3,4-dimethylphenyl)-1-N-(3-methylbutyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 302.42 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(3,4-dimethylphenyl)-1-N-(3-methylbutyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108979647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).