ethyl (E)-3-[4-(oxan-2-yloxycarbamoyl)phenyl]prop-2-enoate

C17H21NO5 — CID 142704315

IUPACethyl (E)-3-[4-(oxan-2-yloxycarbamoyl)phenyl]prop-2-enoate
SMILESCCOC(=O)/C=C/c1ccc(C(=O)NOC2CCCCO2)cc1
InChIInChI=1S/C17H21NO5/c1-2-21-15(19)11-8-13-6-9-14(10-7-13)17(20)18-23-16-5-3-4-12-22-16/h6-11,16H,2-5,12H2,1H3,(H,18,20)/b11-8+
InChIKeyDYMYMBUKRMUABT-DHZHZOJOSA-N
MW319.36 g/mol
LogP2.45
Rot. Bonds6

About ethyl (E)-3-[4-(oxan-2-yloxycarbamoyl)phenyl]prop-2-enoate

ethyl (E)-3-[4-(oxan-2-yloxycarbamoyl)phenyl]prop-2-enoate (PubChem CID 142704315) has the molecular formula C17H21NO5 and a molecular weight of 319.36 g/mol. Its IUPAC name is ethyl (E)-3-[4-(oxan-2-yloxycarbamoyl)phenyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-[4-(oxan-2-yloxycarbamoyl)phenyl]prop-2-enoate
PubChem CID142704315
Molecular FormulaC17H21NO5
Molecular Weight319.36 g/mol
Exact Mass319.14
IUPAC Nameethyl (E)-3-[4-(oxan-2-yloxycarbamoyl)phenyl]prop-2-enoate
SMILESCCOC(=O)/C=C/c1ccc(C(=O)NOC2CCCCO2)cc1
InChIInChI=1S/C17H21NO5/c1-2-21-15(19)11-8-13-6-9-14(10-7-13)17(20)18-23-16-5-3-4-12-22-16/h6-11,16H,2-5,12H2,1H3,(H,18,20)/b11-8+
InChIKeyDYMYMBUKRMUABT-DHZHZOJOSA-N
XLogP2.45
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze ethyl (E)-3-[4-(oxan-2-yloxycarbamoyl)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

Related Compounds

ethyl 3-[4-(cyclopropylcarbamoyl)phenyl]prop-2-enoate
CID 169480970
4-chloro-N-(oxan-2-yloxy)benzamide
CID 51103118
4-(dimethylsulfamoyl)-N-(oxan-2-yloxy)benzamide
CID 51103221
4-(dimethylsulfamoyl)-N-[(2R)-oxan-2-yl]oxybenzamide
CID 94824413
(E)-3-[4-[(E)-3-[4-(chloromethyl)phenyl]-3-oxoprop-1-enyl]phenyl]-N-(oxan-2-yloxy)prop-2-enamide
CID 86641368
ethyl (E)-3-[4-(N'-cyclohexylcarbamimidoyl)phenyl]prop-2-enoate
CID 102045523
(E)-3-(4-cyanophenyl)-N-(oxan-2-yloxy)prop-2-enamide
CID 170189433
oxan-2-yl 3-(4-hydroxyphenyl)prop-2-enoate
CID 77389680
ethyl (E)-3-[4-[[2-[methyl(oxan-2-ylmethyl)amino]acetyl]amino]phenyl]prop-2-enoate
CID 86825123
ethyl 3-[3-[6-hydroxy-5,5-dimethyl-1-(oxan-2-yloxy)hexyl]phenyl]prop-2-enoate
CID 171077180
5-ethyl-N-(oxan-2-yloxy)furan-2-carboxamide
CID 60613092
ethyl (E)-3-(4-propanoylphenyl)prop-2-enoate
CID 18348054

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-[4-(oxan-2-yloxycarbamoyl)phenyl]prop-2-enoate?
The IUPAC name of ethyl (E)-3-[4-(oxan-2-yloxycarbamoyl)phenyl]prop-2-enoate (CID 142704315) is ethyl (E)-3-[4-(oxan-2-yloxycarbamoyl)phenyl]prop-2-enoate.
What is the SMILES notation for ethyl (E)-3-[4-(oxan-2-yloxycarbamoyl)phenyl]prop-2-enoate?
The canonical SMILES for ethyl (E)-3-[4-(oxan-2-yloxycarbamoyl)phenyl]prop-2-enoate is CCOC(=O)/C=C/c1ccc(C(=O)NOC2CCCCO2)cc1.
What is the InChIKey of ethyl (E)-3-[4-(oxan-2-yloxycarbamoyl)phenyl]prop-2-enoate?
The InChIKey is DYMYMBUKRMUABT-DHZHZOJOSA-N. The full InChI is InChI=1S/C17H21NO5/c1-2-21-15(19)11-8-13-6-9-14(10-7-13)17(20)18-23-16-5-3-4-12-22-16/h6-11,16H,2-5,12H2,1H3,(H,18,20)/b11-8+.
What are the key properties of ethyl (E)-3-[4-(oxan-2-yloxycarbamoyl)phenyl]prop-2-enoate?
ethyl (E)-3-[4-(oxan-2-yloxycarbamoyl)phenyl]prop-2-enoate has a molecular weight of 319.36 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-[4-(oxan-2-yloxycarbamoyl)phenyl]prop-2-enoate is sourced from PubChem (CID 142704315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).