methyl 1-(2-cyclohexylethylcarbamoyl)cyclopropane-1-carboxylate

C14H23NO3 — CID 115184511

IUPACmethyl 1-(2-cyclohexylethylcarbamoyl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1(C(=O)NCCC2CCCCC2)CC1
InChIInChI=1S/C14H23NO3/c1-18-13(17)14(8-9-14)12(16)15-10-7-11-5-3-2-4-6-11/h11H,2-10H2,1H3,(H,15,16)
InChIKeyBOAVQVBIUSOSNU-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.03
Rot. Bonds5

About methyl 1-(2-cyclohexylethylcarbamoyl)cyclopropane-1-carboxylate

methyl 1-(2-cyclohexylethylcarbamoyl)cyclopropane-1-carboxylate (PubChem CID 115184511) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is methyl 1-(2-cyclohexylethylcarbamoyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-cyclohexylethylcarbamoyl)cyclopropane-1-carboxylate
PubChem CID115184511
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Namemethyl 1-(2-cyclohexylethylcarbamoyl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1(C(=O)NCCC2CCCCC2)CC1
InChIInChI=1S/C14H23NO3/c1-18-13(17)14(8-9-14)12(16)15-10-7-11-5-3-2-4-6-11/h11H,2-10H2,1H3,(H,15,16)
InChIKeyBOAVQVBIUSOSNU-UHFFFAOYSA-N
XLogP2.03
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.03
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

methyl 1-(2-cyclobutylethylcarbamoyl)cyclopropane-1-carboxylate
CID 115184517
1-carbamothioyl-N-(2-cyclopentylethyl)cyclobutane-1-carboxamide
CID 80589534
1-amino-N-(2-cyclopentylethyl)cyclobutane-1-carboxamide
CID 81179239
N-(2-cyclobutylethyl)-1-(N'-hydroxycarbamimidoyl)cycloheptane-1-carboxamide
CID 104864523
N-(2-cyclohexylethyl)-3-methylpyrrolidine-3-carboxamide
CID 55164951
methyl 3-(2-cyclopentylethylamino)-3-oxopropanoate
CID 115174490
N-(2-cyclopentylethyl)-2-methoxypropanamide
CID 115588216
ethyl 1-(cyclohexylmethylcarbamoyl)cyclobutane-1-carboxylate
CID 175632090
1-carbamothioyl-N-(3-cyclopentylpropyl)cycloheptane-1-carboxamide
CID 106009983
1-amino-N-[2-(oxan-4-yl)ethyl]cyclohexane-1-carboxamide
CID 119290205
(2R)-N-(2-cyclohexylethyl)-2-(trifluoromethyl)oxirane-2-carboxamide
CID 87994237
1-(4-aminophenyl)-N-(2-cyclohexylethyl)cyclopropane-1-carboxamide
CID 115913423

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-cyclohexylethylcarbamoyl)cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-(2-cyclohexylethylcarbamoyl)cyclopropane-1-carboxylate (CID 115184511) is methyl 1-(2-cyclohexylethylcarbamoyl)cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-(2-cyclohexylethylcarbamoyl)cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-(2-cyclohexylethylcarbamoyl)cyclopropane-1-carboxylate is COC(=O)C1(C(=O)NCCC2CCCCC2)CC1.
What is the InChIKey of methyl 1-(2-cyclohexylethylcarbamoyl)cyclopropane-1-carboxylate?
The InChIKey is BOAVQVBIUSOSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-18-13(17)14(8-9-14)12(16)15-10-7-11-5-3-2-4-6-11/h11H,2-10H2,1H3,(H,15,16).
What are the key properties of methyl 1-(2-cyclohexylethylcarbamoyl)cyclopropane-1-carboxylate?
methyl 1-(2-cyclohexylethylcarbamoyl)cyclopropane-1-carboxylate has a molecular weight of 253.34 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-cyclohexylethylcarbamoyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 115184511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).