ethyl (E,5R)-5-benzamidohex-3-enoate

C15H19NO3 — CID 10264644

IUPACethyl (E,5R)-5-benzamidohex-3-enoate
SMILESCCOC(=O)C/C=C/[C@@H](C)NC(=O)c1ccccc1
InChIInChI=1S/C15H19NO3/c1-3-19-14(17)11-7-8-12(2)16-15(18)13-9-5-4-6-10-13/h4-10,12H,3,11H2,1-2H3,(H,16,18)/b8-7+/t12-/m1/s1
InChIKeyYVHRZZSDHKEDFY-ABZNLYFFSA-N
MW261.32 g/mol
LogP2.31
Rot. Bonds6

About ethyl (E,5R)-5-benzamidohex-3-enoate

ethyl (E,5R)-5-benzamidohex-3-enoate (PubChem CID 10264644) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is ethyl (E,5R)-5-benzamidohex-3-enoate.

Molecular Properties

Compound Nameethyl (E,5R)-5-benzamidohex-3-enoate
PubChem CID10264644
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Nameethyl (E,5R)-5-benzamidohex-3-enoate
SMILESCCOC(=O)C/C=C/[C@@H](C)NC(=O)c1ccccc1
InChIInChI=1S/C15H19NO3/c1-3-19-14(17)11-7-8-12(2)16-15(18)13-9-5-4-6-10-13/h4-10,12H,3,11H2,1-2H3,(H,16,18)/b8-7+/t12-/m1/s1
InChIKeyYVHRZZSDHKEDFY-ABZNLYFFSA-N
XLogP2.31
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 ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl (E,5R)-5-benzamidohex-3-enoate with MolForge

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

Launch Full Analysis

Related Compounds

Hippuric Acid
CID 464
Betamipron
CID 71651
N-Propylbenzamide
CID 25354
N-benzoylglycinate
CID 4402710
Methyl hippurate
CID 14566
Amylase
CID 71475145
N-Ethylbenzamide
CID 11959
N-Butylbenzamide
CID 76024
N-Isopropylbenzamide
CID 79503
N-(2-Methylpropyl)benzamide
CID 95140
N-Ethyl-3-toluamide
CID 93103
N-4-Piperidylbenzamide
CID 118120

Frequently Asked Questions

What is the IUPAC name of ethyl (E,5R)-5-benzamidohex-3-enoate?
The IUPAC name of ethyl (E,5R)-5-benzamidohex-3-enoate (CID 10264644) is ethyl (E,5R)-5-benzamidohex-3-enoate.
What is the SMILES notation for ethyl (E,5R)-5-benzamidohex-3-enoate?
The canonical SMILES for ethyl (E,5R)-5-benzamidohex-3-enoate is CCOC(=O)C/C=C/[C@@H](C)NC(=O)c1ccccc1.
What is the InChIKey of ethyl (E,5R)-5-benzamidohex-3-enoate?
The InChIKey is YVHRZZSDHKEDFY-ABZNLYFFSA-N. The full InChI is InChI=1S/C15H19NO3/c1-3-19-14(17)11-7-8-12(2)16-15(18)13-9-5-4-6-10-13/h4-10,12H,3,11H2,1-2H3,(H,16,18)/b8-7+/t12-/m1/s1.
What are the key properties of ethyl (E,5R)-5-benzamidohex-3-enoate?
ethyl (E,5R)-5-benzamidohex-3-enoate has a molecular weight of 261.32 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E,5R)-5-benzamidohex-3-enoate is sourced from PubChem (CID 10264644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).