1-N-butyl-1-N'-(2-ethylphenyl)cyclopropane-1,1-dicarboxamide

C17H24N2O2 — CID 108971075

IUPAC1-N-butyl-1-N'-(2-ethylphenyl)cyclopropane-1,1-dicarboxamide
SMILESCCCCNC(=O)C1(C(=O)Nc2ccccc2CC)CC1
InChIInChI=1S/C17H24N2O2/c1-3-5-12-18-15(20)17(10-11-17)16(21)19-14-9-7-6-8-13(14)4-2/h6-9H,3-5,10-12H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyDJJNRABJQZCHJV-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.88
Rot. Bonds7

About 1-N-butyl-1-N'-(2-ethylphenyl)cyclopropane-1,1-dicarboxamide

1-N-butyl-1-N'-(2-ethylphenyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108971075) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-N-butyl-1-N'-(2-ethylphenyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N-butyl-1-N'-(2-ethylphenyl)cyclopropane-1,1-dicarboxamide
PubChem CID108971075
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1-N-butyl-1-N'-(2-ethylphenyl)cyclopropane-1,1-dicarboxamide
SMILESCCCCNC(=O)C1(C(=O)Nc2ccccc2CC)CC1
InChIInChI=1S/C17H24N2O2/c1-3-5-12-18-15(20)17(10-11-17)16(21)19-14-9-7-6-8-13(14)4-2/h6-9H,3-5,10-12H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyDJJNRABJQZCHJV-UHFFFAOYSA-N
XLogP2.88
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N'-(2-ethylphenyl)-1-N-propylcyclopropane-1,1-dicarboxamide
CID 108970292
1-N'-(2-ethylphenyl)-1-N-(2-phenylethyl)cyclopropane-1,1-dicarboxamide
CID 108977134
1-N-butyl-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108971062
1-N-benzyl-1-N'-(2-ethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108974806
1-N-butyl-1-N'-(2-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108971107
1-N'-(2-methoxyphenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide
CID 108979794
methyl 2-[[1-(pentylcarbamoyl)cyclopropanecarbonyl]amino]benzoate
CID 108979812
1-N'-(2-ethylphenyl)-1-N-(pyridin-4-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108976988
1-N-pentyl-1-N'-(2-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108979800
1-N'-(3-chloro-2-methylphenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide
CID 108979784
1-N-(2-ethylphenyl)-1-N'-(2-morpholin-4-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981735
1-N-(1,3-benzodioxol-5-ylmethyl)-1-N'-(2-ethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108976442

Frequently Asked Questions

What is the IUPAC name of 1-N-butyl-1-N'-(2-ethylphenyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N-butyl-1-N'-(2-ethylphenyl)cyclopropane-1,1-dicarboxamide (CID 108971075) is 1-N-butyl-1-N'-(2-ethylphenyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N-butyl-1-N'-(2-ethylphenyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N-butyl-1-N'-(2-ethylphenyl)cyclopropane-1,1-dicarboxamide is CCCCNC(=O)C1(C(=O)Nc2ccccc2CC)CC1.
What is the InChIKey of 1-N-butyl-1-N'-(2-ethylphenyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is DJJNRABJQZCHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-3-5-12-18-15(20)17(10-11-17)16(21)19-14-9-7-6-8-13(14)4-2/h6-9H,3-5,10-12H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of 1-N-butyl-1-N'-(2-ethylphenyl)cyclopropane-1,1-dicarboxamide?
1-N-butyl-1-N'-(2-ethylphenyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 288.39 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-butyl-1-N'-(2-ethylphenyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108971075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).