ethyl (E)-4-benzamidooxy-4-methylpent-2-enoate

C15H19NO4 — CID 10660150

IUPACethyl (E)-4-benzamidooxy-4-methylpent-2-enoate
SMILESCCOC(=O)/C=C/C(C)(C)ONC(=O)c1ccccc1
InChIInChI=1S/C15H19NO4/c1-4-19-13(17)10-11-15(2,3)20-16-14(18)12-8-6-5-7-9-12/h5-11H,4H2,1-3H3,(H,16,18)/b11-10+
InChIKeyYXZOMPHBGPHAPR-ZHACJKMWSA-N
MW277.32 g/mol
LogP2.25
Rot. Bonds6

About ethyl (E)-4-benzamidooxy-4-methylpent-2-enoate

ethyl (E)-4-benzamidooxy-4-methylpent-2-enoate (PubChem CID 10660150) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is ethyl (E)-4-benzamidooxy-4-methylpent-2-enoate.

Molecular Properties

Compound Nameethyl (E)-4-benzamidooxy-4-methylpent-2-enoate
PubChem CID10660150
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Nameethyl (E)-4-benzamidooxy-4-methylpent-2-enoate
SMILESCCOC(=O)/C=C/C(C)(C)ONC(=O)c1ccccc1
InChIInChI=1S/C15H19NO4/c1-4-19-13(17)10-11-15(2,3)20-16-14(18)12-8-6-5-7-9-12/h5-11H,4H2,1-3H3,(H,16,18)/b11-10+
InChIKeyYXZOMPHBGPHAPR-ZHACJKMWSA-N
XLogP2.25
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 21322
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CID 10776667
N-Benzoyl-O-allylhydroxylamine
CID 12236766
Benzadox-ammonium
CID 21321
N-Tert-butoxy-benzamide
CID 4052036
4-Benzamidooxybutyl acetate
CID 154236
3-(3-Carbamoyl-phenyl)-acrylic acid methyl ester
CID 10130452
3-(5-Carbamoyl-2-methyl-phenyl)-acrylic acid ethyl ester
CID 10489808
3-(3-Carbamoyl-phenyl)-acrylic acid 2-hydroxy-ethyl ester
CID 10537702
3-(3-Carbamoyl-phenyl)-acrylic acid ethyl ester
CID 10632653

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-4-benzamidooxy-4-methylpent-2-enoate?
The IUPAC name of ethyl (E)-4-benzamidooxy-4-methylpent-2-enoate (CID 10660150) is ethyl (E)-4-benzamidooxy-4-methylpent-2-enoate.
What is the SMILES notation for ethyl (E)-4-benzamidooxy-4-methylpent-2-enoate?
The canonical SMILES for ethyl (E)-4-benzamidooxy-4-methylpent-2-enoate is CCOC(=O)/C=C/C(C)(C)ONC(=O)c1ccccc1.
What is the InChIKey of ethyl (E)-4-benzamidooxy-4-methylpent-2-enoate?
The InChIKey is YXZOMPHBGPHAPR-ZHACJKMWSA-N. The full InChI is InChI=1S/C15H19NO4/c1-4-19-13(17)10-11-15(2,3)20-16-14(18)12-8-6-5-7-9-12/h5-11H,4H2,1-3H3,(H,16,18)/b11-10+.
What are the key properties of ethyl (E)-4-benzamidooxy-4-methylpent-2-enoate?
ethyl (E)-4-benzamidooxy-4-methylpent-2-enoate has a molecular weight of 277.32 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-4-benzamidooxy-4-methylpent-2-enoate is sourced from PubChem (CID 10660150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).