ethyl 2-cyclohexyl-2-(prop-2-ynylamino)propanoate

C14H23NO2 — CID 63323924

IUPACethyl 2-cyclohexyl-2-(prop-2-ynylamino)propanoate
SMILESC#CCNC(C)(C(=O)OCC)C1CCCCC1
InChIInChI=1S/C14H23NO2/c1-4-11-15-14(3,13(16)17-5-2)12-9-7-6-8-10-12/h1,12,15H,5-11H2,2-3H3
InChIKeyFGIKEZISMJPKLT-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.11
Rot. Bonds5

About ethyl 2-cyclohexyl-2-(prop-2-ynylamino)propanoate

ethyl 2-cyclohexyl-2-(prop-2-ynylamino)propanoate (PubChem CID 63323924) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is ethyl 2-cyclohexyl-2-(prop-2-ynylamino)propanoate.

Molecular Properties

Compound Nameethyl 2-cyclohexyl-2-(prop-2-ynylamino)propanoate
PubChem CID63323924
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Nameethyl 2-cyclohexyl-2-(prop-2-ynylamino)propanoate
SMILESC#CCNC(C)(C(=O)OCC)C1CCCCC1
InChIInChI=1S/C14H23NO2/c1-4-11-15-14(3,13(16)17-5-2)12-9-7-6-8-10-12/h1,12,15H,5-11H2,2-3H3
InChIKeyFGIKEZISMJPKLT-UHFFFAOYSA-N
XLogP2.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyclohexyl-2-(prop-2-ynylamino)propanoate?
The IUPAC name of ethyl 2-cyclohexyl-2-(prop-2-ynylamino)propanoate (CID 63323924) is ethyl 2-cyclohexyl-2-(prop-2-ynylamino)propanoate.
What is the SMILES notation for ethyl 2-cyclohexyl-2-(prop-2-ynylamino)propanoate?
The canonical SMILES for ethyl 2-cyclohexyl-2-(prop-2-ynylamino)propanoate is C#CCNC(C)(C(=O)OCC)C1CCCCC1.
What is the InChIKey of ethyl 2-cyclohexyl-2-(prop-2-ynylamino)propanoate?
The InChIKey is FGIKEZISMJPKLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-4-11-15-14(3,13(16)17-5-2)12-9-7-6-8-10-12/h1,12,15H,5-11H2,2-3H3.
What are the key properties of ethyl 2-cyclohexyl-2-(prop-2-ynylamino)propanoate?
ethyl 2-cyclohexyl-2-(prop-2-ynylamino)propanoate has a molecular weight of 237.34 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyclohexyl-2-(prop-2-ynylamino)propanoate is sourced from PubChem (CID 63323924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).