cyclohexyl (E)-3-[4-(dimethylamino)phenyl]prop-2-enoate

C17H23NO2 — CID 121364930

IUPACcyclohexyl (E)-3-[4-(dimethylamino)phenyl]prop-2-enoate
SMILESCN(C)c1ccc(/C=C/C(=O)OC2CCCCC2)cc1
InChIInChI=1S/C17H23NO2/c1-18(2)15-11-8-14(9-12-15)10-13-17(19)20-16-6-4-3-5-7-16/h8-13,16H,3-7H2,1-2H3/b13-10+
InChIKeyUCEPXBBKGSKWKR-JLHYYAGUSA-N
MW273.38 g/mol
LogP3.64
Rot. Bonds4

About cyclohexyl (E)-3-[4-(dimethylamino)phenyl]prop-2-enoate

cyclohexyl (E)-3-[4-(dimethylamino)phenyl]prop-2-enoate (PubChem CID 121364930) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is cyclohexyl (E)-3-[4-(dimethylamino)phenyl]prop-2-enoate.

Molecular Properties

Compound Namecyclohexyl (E)-3-[4-(dimethylamino)phenyl]prop-2-enoate
PubChem CID121364930
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Namecyclohexyl (E)-3-[4-(dimethylamino)phenyl]prop-2-enoate
SMILESCN(C)c1ccc(/C=C/C(=O)OC2CCCCC2)cc1
InChIInChI=1S/C17H23NO2/c1-18(2)15-11-8-14(9-12-15)10-13-17(19)20-16-6-4-3-5-7-16/h8-13,16H,3-7H2,1-2H3/b13-10+
InChIKeyUCEPXBBKGSKWKR-JLHYYAGUSA-N
XLogP3.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze cyclohexyl (E)-3-[4-(dimethylamino)phenyl]prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cyclohexyl (E)-3-[4-(dimethylamino)phenyl]prop-2-enoate?
The IUPAC name of cyclohexyl (E)-3-[4-(dimethylamino)phenyl]prop-2-enoate (CID 121364930) is cyclohexyl (E)-3-[4-(dimethylamino)phenyl]prop-2-enoate.
What is the SMILES notation for cyclohexyl (E)-3-[4-(dimethylamino)phenyl]prop-2-enoate?
The canonical SMILES for cyclohexyl (E)-3-[4-(dimethylamino)phenyl]prop-2-enoate is CN(C)c1ccc(/C=C/C(=O)OC2CCCCC2)cc1.
What is the InChIKey of cyclohexyl (E)-3-[4-(dimethylamino)phenyl]prop-2-enoate?
The InChIKey is UCEPXBBKGSKWKR-JLHYYAGUSA-N. The full InChI is InChI=1S/C17H23NO2/c1-18(2)15-11-8-14(9-12-15)10-13-17(19)20-16-6-4-3-5-7-16/h8-13,16H,3-7H2,1-2H3/b13-10+.
What are the key properties of cyclohexyl (E)-3-[4-(dimethylamino)phenyl]prop-2-enoate?
cyclohexyl (E)-3-[4-(dimethylamino)phenyl]prop-2-enoate has a molecular weight of 273.38 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl (E)-3-[4-(dimethylamino)phenyl]prop-2-enoate is sourced from PubChem (CID 121364930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).