4-[(dipropylamino)methyl]-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol

C15H24N2O2 — CID 177487240

IUPAC4-[(dipropylamino)methyl]-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol
SMILESCCCN(CCC)Cc1ccc(O)c(/C(C)=N/O)c1
InChIInChI=1S/C15H24N2O2/c1-4-8-17(9-5-2)11-13-6-7-15(18)14(10-13)12(3)16-19/h6-7,10,18-19H,4-5,8-9,11H2,1-3H3/b16-12+
InChIKeySZUOEIGFPQRAKB-FOWTUZBSSA-N
MW264.37 g/mol
LogP3.21
Rot. Bonds7

About 4-[(dipropylamino)methyl]-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol

4-[(dipropylamino)methyl]-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol (PubChem CID 177487240) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-[(dipropylamino)methyl]-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol.

Molecular Properties

Compound Name4-[(dipropylamino)methyl]-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol
PubChem CID177487240
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name4-[(dipropylamino)methyl]-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol
SMILESCCCN(CCC)Cc1ccc(O)c(/C(C)=N/O)c1
InChIInChI=1S/C15H24N2O2/c1-4-8-17(9-5-2)11-13-6-7-15(18)14(10-13)12(3)16-19/h6-7,10,18-19H,4-5,8-9,11H2,1-3H3/b16-12+
InChIKeySZUOEIGFPQRAKB-FOWTUZBSSA-N
XLogP3.21
TPSA56.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_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 4-[(dipropylamino)methyl]-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol?
The IUPAC name of 4-[(dipropylamino)methyl]-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol (CID 177487240) is 4-[(dipropylamino)methyl]-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol.
What is the SMILES notation for 4-[(dipropylamino)methyl]-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol?
The canonical SMILES for 4-[(dipropylamino)methyl]-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol is CCCN(CCC)Cc1ccc(O)c(/C(C)=N/O)c1.
What is the InChIKey of 4-[(dipropylamino)methyl]-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol?
The InChIKey is SZUOEIGFPQRAKB-FOWTUZBSSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-4-8-17(9-5-2)11-13-6-7-15(18)14(10-13)12(3)16-19/h6-7,10,18-19H,4-5,8-9,11H2,1-3H3/b16-12+.
What are the key properties of 4-[(dipropylamino)methyl]-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol?
4-[(dipropylamino)methyl]-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol has a molecular weight of 264.37 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dipropylamino)methyl]-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol is sourced from PubChem (CID 177487240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).