N'-hydroxy-2-[4-[3-(oxolan-2-yl)propoxy]phenyl]ethanimidamide

C15H22N2O3 — CID 77057892

IUPACN'-hydroxy-2-[4-[3-(oxolan-2-yl)propoxy]phenyl]ethanimidamide
SMILESNC(Cc1ccc(OCCCC2CCCO2)cc1)=NO
InChIInChI=1S/C15H22N2O3/c16-15(17-18)11-12-5-7-14(8-6-12)20-10-2-4-13-3-1-9-19-13/h5-8,13,18H,1-4,9-11H2,(H2,16,17)
InChIKeyHHFWKZLBOLPJPM-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.31
Rot. Bonds7

About N'-hydroxy-2-[4-[3-(oxolan-2-yl)propoxy]phenyl]ethanimidamide

N'-hydroxy-2-[4-[3-(oxolan-2-yl)propoxy]phenyl]ethanimidamide (PubChem CID 77057892) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N'-hydroxy-2-[4-[3-(oxolan-2-yl)propoxy]phenyl]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[4-[3-(oxolan-2-yl)propoxy]phenyl]ethanimidamide
PubChem CID77057892
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN'-hydroxy-2-[4-[3-(oxolan-2-yl)propoxy]phenyl]ethanimidamide
SMILESNC(Cc1ccc(OCCCC2CCCO2)cc1)=NO
InChIInChI=1S/C15H22N2O3/c16-15(17-18)11-12-5-7-14(8-6-12)20-10-2-4-13-3-1-9-19-13/h5-8,13,18H,1-4,9-11H2,(H2,16,17)
InChIKeyHHFWKZLBOLPJPM-UHFFFAOYSA-N
XLogP2.31
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[3-(oxolan-2-yl)propoxy]aniline
CID 65158811
N'-hydroxy-4-[2-(oxolan-2-yl)ethoxy]benzenecarboximidamide
CID 77057898
[4-[3-(oxolan-2-yl)propoxy]phenyl]boronic acid
CID 65163245
N-[4-(2-amino-2-hydroxyiminoethyl)phenyl]-3-(oxolan-2-yl)propanamide
CID 77057810
2-[3-(4-tert-butylphenoxy)propyl]oxolane
CID 65170270
methyl 4-[3-(oxolan-2-yl)propoxy]benzoate
CID 65158529
2-methyl-N-[[4-[3-(oxolan-2-yl)propoxy]phenyl]methyl]propan-1-amine
CID 65158401
1-[4-[2-(oxolan-2-yl)ethoxy]phenyl]propan-2-amine
CID 65164633
2-[4-[2-[methyl(oxolan-2-ylmethyl)amino]ethoxy]phenyl]ethanethioamide
CID 61432522
(NE)-N-[1-[4-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]ethylidene]hydroxylamine
CID 82003088
2-[2-(4-bromophenoxy)ethyl]oxolane
CID 65161274
2-(4-cyclopentyloxyphenyl)-N'-hydroxyethanimidamide
CID 24704646

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[4-[3-(oxolan-2-yl)propoxy]phenyl]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[4-[3-(oxolan-2-yl)propoxy]phenyl]ethanimidamide (CID 77057892) is N'-hydroxy-2-[4-[3-(oxolan-2-yl)propoxy]phenyl]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[4-[3-(oxolan-2-yl)propoxy]phenyl]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[4-[3-(oxolan-2-yl)propoxy]phenyl]ethanimidamide is NC(Cc1ccc(OCCCC2CCCO2)cc1)=NO.
What is the InChIKey of N'-hydroxy-2-[4-[3-(oxolan-2-yl)propoxy]phenyl]ethanimidamide?
The InChIKey is HHFWKZLBOLPJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c16-15(17-18)11-12-5-7-14(8-6-12)20-10-2-4-13-3-1-9-19-13/h5-8,13,18H,1-4,9-11H2,(H2,16,17).
What are the key properties of N'-hydroxy-2-[4-[3-(oxolan-2-yl)propoxy]phenyl]ethanimidamide?
N'-hydroxy-2-[4-[3-(oxolan-2-yl)propoxy]phenyl]ethanimidamide has a molecular weight of 278.35 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[4-[3-(oxolan-2-yl)propoxy]phenyl]ethanimidamide is sourced from PubChem (CID 77057892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).