(E,5S)-N,5-dihydroxy-5-[4-(2-hydroxyethoxy)phenyl]-3-methylpent-2-enamide

C14H19NO5 — CID 23846706

IUPAC(E,5S)-N,5-dihydroxy-5-[4-(2-hydroxyethoxy)phenyl]-3-methylpent-2-enamide
SMILESC/C(=C\C(=O)NO)C[C@H](O)c1ccc(OCCO)cc1
InChIInChI=1S/C14H19NO5/c1-10(9-14(18)15-19)8-13(17)11-2-4-12(5-3-11)20-7-6-16/h2-5,9,13,16-17,19H,6-8H2,1H3,(H,15,18)/b10-9+/t13-/m0/s1
InChIKeyHUPQZHDVDOBNCX-LXKVQUBZSA-N
MW281.31 g/mol
LogP0.93
Rot. Bonds7

About (E,5S)-N,5-dihydroxy-5-[4-(2-hydroxyethoxy)phenyl]-3-methylpent-2-enamide

(E,5S)-N,5-dihydroxy-5-[4-(2-hydroxyethoxy)phenyl]-3-methylpent-2-enamide (PubChem CID 23846706) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is (E,5S)-N,5-dihydroxy-5-[4-(2-hydroxyethoxy)phenyl]-3-methylpent-2-enamide.

Molecular Properties

Compound Name(E,5S)-N,5-dihydroxy-5-[4-(2-hydroxyethoxy)phenyl]-3-methylpent-2-enamide
PubChem CID23846706
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name(E,5S)-N,5-dihydroxy-5-[4-(2-hydroxyethoxy)phenyl]-3-methylpent-2-enamide
SMILESC/C(=C\C(=O)NO)C[C@H](O)c1ccc(OCCO)cc1
InChIInChI=1S/C14H19NO5/c1-10(9-14(18)15-19)8-13(17)11-2-4-12(5-3-11)20-7-6-16/h2-5,9,13,16-17,19H,6-8H2,1H3,(H,15,18)/b10-9+/t13-/m0/s1
InChIKeyHUPQZHDVDOBNCX-LXKVQUBZSA-N
XLogP0.93
TPSA99.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E,5S)-N,5-dihydroxy-5-[4-(2-hydroxyethoxy)phenyl]-3-methylpent-2-enamide?
The IUPAC name of (E,5S)-N,5-dihydroxy-5-[4-(2-hydroxyethoxy)phenyl]-3-methylpent-2-enamide (CID 23846706) is (E,5S)-N,5-dihydroxy-5-[4-(2-hydroxyethoxy)phenyl]-3-methylpent-2-enamide.
What is the SMILES notation for (E,5S)-N,5-dihydroxy-5-[4-(2-hydroxyethoxy)phenyl]-3-methylpent-2-enamide?
The canonical SMILES for (E,5S)-N,5-dihydroxy-5-[4-(2-hydroxyethoxy)phenyl]-3-methylpent-2-enamide is C/C(=C\C(=O)NO)C[C@H](O)c1ccc(OCCO)cc1.
What is the InChIKey of (E,5S)-N,5-dihydroxy-5-[4-(2-hydroxyethoxy)phenyl]-3-methylpent-2-enamide?
The InChIKey is HUPQZHDVDOBNCX-LXKVQUBZSA-N. The full InChI is InChI=1S/C14H19NO5/c1-10(9-14(18)15-19)8-13(17)11-2-4-12(5-3-11)20-7-6-16/h2-5,9,13,16-17,19H,6-8H2,1H3,(H,15,18)/b10-9+/t13-/m0/s1.
What are the key properties of (E,5S)-N,5-dihydroxy-5-[4-(2-hydroxyethoxy)phenyl]-3-methylpent-2-enamide?
(E,5S)-N,5-dihydroxy-5-[4-(2-hydroxyethoxy)phenyl]-3-methylpent-2-enamide has a molecular weight of 281.31 g/mol, XLogP of 0.93, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E,5S)-N,5-dihydroxy-5-[4-(2-hydroxyethoxy)phenyl]-3-methylpent-2-enamide is sourced from PubChem (CID 23846706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).