ethyl 1-(cyclohexylmethylcarbamoyl)cyclobutane-1-carboxylate

C15H25NO3 — CID 175632090

IUPACethyl 1-(cyclohexylmethylcarbamoyl)cyclobutane-1-carboxylate
SMILESCCOC(=O)C1(C(=O)NCC2CCCCC2)CCC1
InChIInChI=1S/C15H25NO3/c1-2-19-14(18)15(9-6-10-15)13(17)16-11-12-7-4-3-5-8-12/h12H,2-11H2,1H3,(H,16,17)
InChIKeyYXCIGZJPYUJPCQ-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.42
Rot. Bonds5

About ethyl 1-(cyclohexylmethylcarbamoyl)cyclobutane-1-carboxylate

ethyl 1-(cyclohexylmethylcarbamoyl)cyclobutane-1-carboxylate (PubChem CID 175632090) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is ethyl 1-(cyclohexylmethylcarbamoyl)cyclobutane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(cyclohexylmethylcarbamoyl)cyclobutane-1-carboxylate
PubChem CID175632090
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Nameethyl 1-(cyclohexylmethylcarbamoyl)cyclobutane-1-carboxylate
SMILESCCOC(=O)C1(C(=O)NCC2CCCCC2)CCC1
InChIInChI=1S/C15H25NO3/c1-2-19-14(18)15(9-6-10-15)13(17)16-11-12-7-4-3-5-8-12/h12H,2-11H2,1H3,(H,16,17)
InChIKeyYXCIGZJPYUJPCQ-UHFFFAOYSA-N
XLogP2.42
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2,5-dioxopyrrolidin-1-yl) 1-(cyclohexylmethylcarbamoyl)cyclobutane-1-carboxylate
CID 171843630
methyl 1-[(1-methylpiperidin-3-yl)methylcarbamoyl]cyclobutane-1-carboxylate
CID 115184300
1-amino-N-(cyclopentylmethyl)cyclopropane-1-carboxamide
CID 65463779
N-(cyclopentylmethyl)-1-(methylaminomethyl)cyclobutane-1-carboxamide
CID 115183725
ethyl N-(cyclohexylmethyl)carbamate;molecular hydrogen
CID 144717784
N-(cyclobutylmethyl)-1-(N'-hydroxycarbamimidoyl)cycloheptane-1-carboxamide
CID 76919567
methyl 1-(2-cyclohexylethylcarbamoyl)cyclopropane-1-carboxylate
CID 115184511
1-carbamothioyl-N-(cyclohexylmethyl)-3-methylcyclobutane-1-carboxamide
CID 80593156
N-cyclohexylcyclohexanamine;1-ethoxycarbonylcyclopropane-1-carboxylic acid
CID 174978699
ethyl 1-carbonochloridoylcyclobutane-1-carboxylate
CID 19096810
ethyl 1-carbonobromidoylcyclobutane-1-carboxylate
CID 20826021
1-(aminomethyl)-N-(cyclobutylmethyl)cyclobutane-1-carboxamide
CID 80587767

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(cyclohexylmethylcarbamoyl)cyclobutane-1-carboxylate?
The IUPAC name of ethyl 1-(cyclohexylmethylcarbamoyl)cyclobutane-1-carboxylate (CID 175632090) is ethyl 1-(cyclohexylmethylcarbamoyl)cyclobutane-1-carboxylate.
What is the SMILES notation for ethyl 1-(cyclohexylmethylcarbamoyl)cyclobutane-1-carboxylate?
The canonical SMILES for ethyl 1-(cyclohexylmethylcarbamoyl)cyclobutane-1-carboxylate is CCOC(=O)C1(C(=O)NCC2CCCCC2)CCC1.
What is the InChIKey of ethyl 1-(cyclohexylmethylcarbamoyl)cyclobutane-1-carboxylate?
The InChIKey is YXCIGZJPYUJPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-2-19-14(18)15(9-6-10-15)13(17)16-11-12-7-4-3-5-8-12/h12H,2-11H2,1H3,(H,16,17).
What are the key properties of ethyl 1-(cyclohexylmethylcarbamoyl)cyclobutane-1-carboxylate?
ethyl 1-(cyclohexylmethylcarbamoyl)cyclobutane-1-carboxylate has a molecular weight of 267.37 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(cyclohexylmethylcarbamoyl)cyclobutane-1-carboxylate is sourced from PubChem (CID 175632090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).