1-N'-cycloheptyl-1-N-(2-methylpropyl)cyclopropane-1,1-dicarboxamide

C16H28N2O2 — CID 108971243

IUPAC1-N'-cycloheptyl-1-N-(2-methylpropyl)cyclopropane-1,1-dicarboxamide
SMILESCC(C)CNC(=O)C1(C(=O)NC2CCCCCC2)CC1
InChIInChI=1S/C16H28N2O2/c1-12(2)11-17-14(19)16(9-10-16)15(20)18-13-7-5-3-4-6-8-13/h12-13H,3-11H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyQYVWVQGLMZJJKP-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.38
Rot. Bonds5

About 1-N'-cycloheptyl-1-N-(2-methylpropyl)cyclopropane-1,1-dicarboxamide

1-N'-cycloheptyl-1-N-(2-methylpropyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108971243) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 1-N'-cycloheptyl-1-N-(2-methylpropyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-cycloheptyl-1-N-(2-methylpropyl)cyclopropane-1,1-dicarboxamide
PubChem CID108971243
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name1-N'-cycloheptyl-1-N-(2-methylpropyl)cyclopropane-1,1-dicarboxamide
SMILESCC(C)CNC(=O)C1(C(=O)NC2CCCCCC2)CC1
InChIInChI=1S/C16H28N2O2/c1-12(2)11-17-14(19)16(9-10-16)15(20)18-13-7-5-3-4-6-8-13/h12-13H,3-11H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyQYVWVQGLMZJJKP-UHFFFAOYSA-N
XLogP2.38
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.38
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-cyclohexyl-1-N'-cyclopropylcyclopropane-1,1-dicarboxamide
CID 108970589
1-N-butyl-1-N'-cycloheptylcyclopropane-1,1-dicarboxamide
CID 108971049
1-(2-methylpropylcarbamoyl)cyclopropane-1-carboxylic acid
CID 62095026
1-N'-cyclohexyl-1-N-pentylcyclopropane-1,1-dicarboxamide
CID 108972201
1-N'-cycloheptyl-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide
CID 108973625
1-N'-cycloheptyl-1-N-(2-phenylethyl)cyclopropane-1,1-dicarboxamide
CID 108977110
N-cyclooctyl-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide
CID 80590605
1-N'-(2-methylpropyl)-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide
CID 108970779
1-N-[2-(dimethylamino)ethyl]-1-N'-(2-methylpropyl)cyclopropane-1,1-dicarboxamide
CID 108971181
2-(cyclohexylcarbamothioylamino)-N-(2-methylpropyl)acetamide
CID 49154483
2-(cyclohexylamino)-N-(2-methylpropyl)propanamide
CID 43086810
1-(N'-hydroxycarbamimidoyl)-N-(2-methylpropyl)cyclohexane-1-carboxamide
CID 76920434

Frequently Asked Questions

What is the IUPAC name of 1-N'-cycloheptyl-1-N-(2-methylpropyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-cycloheptyl-1-N-(2-methylpropyl)cyclopropane-1,1-dicarboxamide (CID 108971243) is 1-N'-cycloheptyl-1-N-(2-methylpropyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-cycloheptyl-1-N-(2-methylpropyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-cycloheptyl-1-N-(2-methylpropyl)cyclopropane-1,1-dicarboxamide is CC(C)CNC(=O)C1(C(=O)NC2CCCCCC2)CC1.
What is the InChIKey of 1-N'-cycloheptyl-1-N-(2-methylpropyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is QYVWVQGLMZJJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-12(2)11-17-14(19)16(9-10-16)15(20)18-13-7-5-3-4-6-8-13/h12-13H,3-11H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 1-N'-cycloheptyl-1-N-(2-methylpropyl)cyclopropane-1,1-dicarboxamide?
1-N'-cycloheptyl-1-N-(2-methylpropyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 280.41 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-cycloheptyl-1-N-(2-methylpropyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108971243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).