ethyl 2-(2-phenylethylcarbamoyl)cyclopropane-1-carboxylate

C15H19NO3 — CID 102105174

IUPACethyl 2-(2-phenylethylcarbamoyl)cyclopropane-1-carboxylate
SMILESCCOC(=O)C1CC1C(=O)NCCc1ccccc1
InChIInChI=1S/C15H19NO3/c1-2-19-15(18)13-10-12(13)14(17)16-9-8-11-6-4-3-5-7-11/h3-7,12-13H,2,8-10H2,1H3,(H,16,17)
InChIKeyMUHDIGSQPHRXMG-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.54
Rot. Bonds6

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

ethyl 2-(2-phenylethylcarbamoyl)cyclopropane-1-carboxylate (PubChem CID 102105174) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is ethyl 2-(2-phenylethylcarbamoyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2-phenylethylcarbamoyl)cyclopropane-1-carboxylate
PubChem CID102105174
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Nameethyl 2-(2-phenylethylcarbamoyl)cyclopropane-1-carboxylate
SMILESCCOC(=O)C1CC1C(=O)NCCc1ccccc1
InChIInChI=1S/C15H19NO3/c1-2-19-15(18)13-10-12(13)14(17)16-9-8-11-6-4-3-5-7-11/h3-7,12-13H,2,8-10H2,1H3,(H,16,17)
InChIKeyMUHDIGSQPHRXMG-UHFFFAOYSA-N
XLogP1.54
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(benzylcarbamoyl)cyclopropane-1-carboxylate
CID 102105176
1-N-(2-phenylethyl)-2-N-propylcyclopropane-1,2-dicarboxamide
CID 109130457
(1S,6S)-3,4-dimethyl-6-(2-phenylethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 841445
(3R,4R)-3-N,4-N-bis(2-phenylethyl)pyrrolidine-3,4-dicarboxamide
CID 154961382
1-N-cycloheptyl-2-N-(2-phenylethyl)cyclopropane-1,2-dicarboxamide
CID 109137355
1-N-(5-methyl-1,2-oxazol-3-yl)-2-N-(2-phenylethyl)cyclopropane-1,2-dicarboxamide
CID 109137458
N-(2-phenylethyl)-2-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109132207
2-N-(2-phenylethyl)-1-N-(3,4,5-trimethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109137440
1-N-benzyl-1-N-phenyl-2-N-(2-phenylethyl)cyclopropane-1,2-dicarboxamide
CID 109137430
ethyl 2-(hexylcarbamoyl)cyclopropane-1-carboxylate
CID 102105177
cis-(1R,2S)-2-hydroxy-N-(2-phenylethyl)cyclohexane-1-carboxamide
CID 13313986
1-N-[2-(4-fluorophenyl)ethyl]-2-N-propylcyclopropane-1,2-dicarboxamide
CID 109130460

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-phenylethylcarbamoyl)cyclopropane-1-carboxylate?
The IUPAC name of ethyl 2-(2-phenylethylcarbamoyl)cyclopropane-1-carboxylate (CID 102105174) is ethyl 2-(2-phenylethylcarbamoyl)cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 2-(2-phenylethylcarbamoyl)cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 2-(2-phenylethylcarbamoyl)cyclopropane-1-carboxylate is CCOC(=O)C1CC1C(=O)NCCc1ccccc1.
What is the InChIKey of ethyl 2-(2-phenylethylcarbamoyl)cyclopropane-1-carboxylate?
The InChIKey is MUHDIGSQPHRXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-2-19-15(18)13-10-12(13)14(17)16-9-8-11-6-4-3-5-7-11/h3-7,12-13H,2,8-10H2,1H3,(H,16,17).
What are the key properties of ethyl 2-(2-phenylethylcarbamoyl)cyclopropane-1-carboxylate?
ethyl 2-(2-phenylethylcarbamoyl)cyclopropane-1-carboxylate has a molecular weight of 261.32 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-phenylethylcarbamoyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 102105174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).