(E,2R,3R)-3-azido-2-hydroxy-N,N-dimethyl-5-phenylpent-4-enamide

C13H16N4O2 — CID 11425447

IUPAC(E,2R,3R)-3-azido-2-hydroxy-N,N-dimethyl-5-phenylpent-4-enamide
SMILESCN(C)C(=O)[C@H](O)[C@@H](/C=C/c1ccccc1)N=[N+]=[N-]
InChIInChI=1S/C13H16N4O2/c1-17(2)13(19)12(18)11(15-16-14)9-8-10-6-4-3-5-7-10/h3-9,11-12,18H,1-2H3/b9-8+/t11-,12-/m1/s1
InChIKeyXPFMTHJLNPCXDM-SVKHLYGUSA-N
MW260.30 g/mol
LogP1.83
Rot. Bonds5

About (E,2R,3R)-3-azido-2-hydroxy-N,N-dimethyl-5-phenylpent-4-enamide

(E,2R,3R)-3-azido-2-hydroxy-N,N-dimethyl-5-phenylpent-4-enamide (PubChem CID 11425447) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is (E,2R,3R)-3-azido-2-hydroxy-N,N-dimethyl-5-phenylpent-4-enamide.

Molecular Properties

Compound Name(E,2R,3R)-3-azido-2-hydroxy-N,N-dimethyl-5-phenylpent-4-enamide
PubChem CID11425447
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name(E,2R,3R)-3-azido-2-hydroxy-N,N-dimethyl-5-phenylpent-4-enamide
SMILESCN(C)C(=O)[C@H](O)[C@@H](/C=C/c1ccccc1)N=[N+]=[N-]
InChIInChI=1S/C13H16N4O2/c1-17(2)13(19)12(18)11(15-16-14)9-8-10-6-4-3-5-7-10/h3-9,11-12,18H,1-2H3/b9-8+/t11-,12-/m1/s1
InChIKeyXPFMTHJLNPCXDM-SVKHLYGUSA-N
XLogP1.83
TPSA89.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E,2R,3R)-3-azido-2-hydroxy-N,N-dimethyl-5-phenylpent-4-enamide?
The IUPAC name of (E,2R,3R)-3-azido-2-hydroxy-N,N-dimethyl-5-phenylpent-4-enamide (CID 11425447) is (E,2R,3R)-3-azido-2-hydroxy-N,N-dimethyl-5-phenylpent-4-enamide.
What is the SMILES notation for (E,2R,3R)-3-azido-2-hydroxy-N,N-dimethyl-5-phenylpent-4-enamide?
The canonical SMILES for (E,2R,3R)-3-azido-2-hydroxy-N,N-dimethyl-5-phenylpent-4-enamide is CN(C)C(=O)[C@H](O)[C@@H](/C=C/c1ccccc1)N=[N+]=[N-].
What is the InChIKey of (E,2R,3R)-3-azido-2-hydroxy-N,N-dimethyl-5-phenylpent-4-enamide?
The InChIKey is XPFMTHJLNPCXDM-SVKHLYGUSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-17(2)13(19)12(18)11(15-16-14)9-8-10-6-4-3-5-7-10/h3-9,11-12,18H,1-2H3/b9-8+/t11-,12-/m1/s1.
What are the key properties of (E,2R,3R)-3-azido-2-hydroxy-N,N-dimethyl-5-phenylpent-4-enamide?
(E,2R,3R)-3-azido-2-hydroxy-N,N-dimethyl-5-phenylpent-4-enamide has a molecular weight of 260.30 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R,3R)-3-azido-2-hydroxy-N,N-dimethyl-5-phenylpent-4-enamide is sourced from PubChem (CID 11425447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).