ethyl 2-(hexylcarbamoyl)cyclopropane-1-carboxylate

C13H23NO3 — CID 102105177

IUPACethyl 2-(hexylcarbamoyl)cyclopropane-1-carboxylate
SMILESCCCCCCNC(=O)C1CC1C(=O)OCC
InChIInChI=1S/C13H23NO3/c1-3-5-6-7-8-14-12(15)10-9-11(10)13(16)17-4-2/h10-11H,3-9H2,1-2H3,(H,14,15)
InChIKeyQFBRPRYHJFXXCR-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.88
Rot. Bonds8

About ethyl 2-(hexylcarbamoyl)cyclopropane-1-carboxylate

ethyl 2-(hexylcarbamoyl)cyclopropane-1-carboxylate (PubChem CID 102105177) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is ethyl 2-(hexylcarbamoyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-(hexylcarbamoyl)cyclopropane-1-carboxylate
PubChem CID102105177
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Nameethyl 2-(hexylcarbamoyl)cyclopropane-1-carboxylate
SMILESCCCCCCNC(=O)C1CC1C(=O)OCC
InChIInChI=1S/C13H23NO3/c1-3-5-6-7-8-14-12(15)10-9-11(10)13(16)17-4-2/h10-11H,3-9H2,1-2H3,(H,14,15)
InChIKeyQFBRPRYHJFXXCR-UHFFFAOYSA-N
XLogP1.88
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-N-[2-(dimethylamino)ethyl]-2-N-pentylcyclopropane-1,2-dicarboxamide
CID 109133696
ethyl 2-(2-phenylethylcarbamoyl)cyclopropane-1-carboxylate
CID 102105174
ethyl 4-[[2-(butylcarbamoyl)cyclopropanecarbonyl]amino]piperidine-1-carboxylate
CID 109131267
ethyl 2-[12-[(2-ethoxy-2-oxoacetyl)amino]dodecylamino]-2-oxoacetate
CID 102308082
(1S,6R)-3,4-dimethyl-6-(pentylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 7001791
(1R,2R,4R)-N-octylbicyclo[2.2.1]heptane-2-carboxamide
CID 98289110
4-amino-N-hexyloxolane-3-carboxamide
CID 66238816
1-N-benzyl-2-N-pentylcyclopropane-1,2-dicarboxamide
CID 109135020
2-(decylcarbamoyl)cyclohexane-1-carboxylic acid
CID 5139462
N,N'-diheptyloxamide
CID 3417538
1-N-(4-ethylphenyl)-2-N-pentylcyclopropane-1,2-dicarboxamide
CID 109140027
(1S,6S)-6-(hexylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 40579321

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(hexylcarbamoyl)cyclopropane-1-carboxylate?
The IUPAC name of ethyl 2-(hexylcarbamoyl)cyclopropane-1-carboxylate (CID 102105177) is ethyl 2-(hexylcarbamoyl)cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 2-(hexylcarbamoyl)cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 2-(hexylcarbamoyl)cyclopropane-1-carboxylate is CCCCCCNC(=O)C1CC1C(=O)OCC.
What is the InChIKey of ethyl 2-(hexylcarbamoyl)cyclopropane-1-carboxylate?
The InChIKey is QFBRPRYHJFXXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-3-5-6-7-8-14-12(15)10-9-11(10)13(16)17-4-2/h10-11H,3-9H2,1-2H3,(H,14,15).
What are the key properties of ethyl 2-(hexylcarbamoyl)cyclopropane-1-carboxylate?
ethyl 2-(hexylcarbamoyl)cyclopropane-1-carboxylate has a molecular weight of 241.33 g/mol, XLogP of 1.88, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(hexylcarbamoyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 102105177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).