1-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]oxy-3-(propan-2-ylamino)propan-2-ol

C16H24N2O2 — CID 12606703

IUPAC1-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]oxy-3-(propan-2-ylamino)propan-2-ol
SMILESCC(/C=C/c1ccccc1)=N\OCC(O)CNC(C)C
InChIInChI=1S/C16H24N2O2/c1-13(2)17-11-16(19)12-20-18-14(3)9-10-15-7-5-4-6-8-15/h4-10,13,16-17,19H,11-12H2,1-3H3/b10-9+,18-14+
InChIKeyCVFFXSDVXHTRJV-BFHPBESDSA-N
MW276.38 g/mol
LogP2.45
Rot. Bonds8

About 1-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]oxy-3-(propan-2-ylamino)propan-2-ol

1-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]oxy-3-(propan-2-ylamino)propan-2-ol (PubChem CID 12606703) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]oxy-3-(propan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]oxy-3-(propan-2-ylamino)propan-2-ol
PubChem CID12606703
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]oxy-3-(propan-2-ylamino)propan-2-ol
SMILESCC(/C=C/c1ccccc1)=N\OCC(O)CNC(C)C
InChIInChI=1S/C16H24N2O2/c1-13(2)17-11-16(19)12-20-18-14(3)9-10-15-7-5-4-6-8-15/h4-10,13,16-17,19H,11-12H2,1-3H3/b10-9+,18-14+
InChIKeyCVFFXSDVXHTRJV-BFHPBESDSA-N
XLogP2.45
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_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 1-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]oxy-3-(propan-2-ylamino)propan-2-ol?
The IUPAC name of 1-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]oxy-3-(propan-2-ylamino)propan-2-ol (CID 12606703) is 1-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]oxy-3-(propan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]oxy-3-(propan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]oxy-3-(propan-2-ylamino)propan-2-ol is CC(/C=C/c1ccccc1)=N\OCC(O)CNC(C)C.
What is the InChIKey of 1-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]oxy-3-(propan-2-ylamino)propan-2-ol?
The InChIKey is CVFFXSDVXHTRJV-BFHPBESDSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-13(2)17-11-16(19)12-20-18-14(3)9-10-15-7-5-4-6-8-15/h4-10,13,16-17,19H,11-12H2,1-3H3/b10-9+,18-14+.
What are the key properties of 1-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]oxy-3-(propan-2-ylamino)propan-2-ol?
1-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]oxy-3-(propan-2-ylamino)propan-2-ol has a molecular weight of 276.38 g/mol, XLogP of 2.45, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]oxy-3-(propan-2-ylamino)propan-2-ol is sourced from PubChem (CID 12606703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).