N'-hydroxy-2-[4-(1-methoxypropan-2-yloxy)phenyl]ethanimidamide

C12H18N2O3 — CID 77020797

IUPACN'-hydroxy-2-[4-(1-methoxypropan-2-yloxy)phenyl]ethanimidamide
SMILESCOCC(C)Oc1ccc(CC(N)=NO)cc1
InChIInChI=1S/C12H18N2O3/c1-9(8-16-2)17-11-5-3-10(4-6-11)7-12(13)14-15/h3-6,9,15H,7-8H2,1-2H3,(H2,13,14)
InChIKeyCWVAQPCWWGTLFO-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.39
Rot. Bonds6

About N'-hydroxy-2-[4-(1-methoxypropan-2-yloxy)phenyl]ethanimidamide

N'-hydroxy-2-[4-(1-methoxypropan-2-yloxy)phenyl]ethanimidamide (PubChem CID 77020797) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is N'-hydroxy-2-[4-(1-methoxypropan-2-yloxy)phenyl]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[4-(1-methoxypropan-2-yloxy)phenyl]ethanimidamide
PubChem CID77020797
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC NameN'-hydroxy-2-[4-(1-methoxypropan-2-yloxy)phenyl]ethanimidamide
SMILESCOCC(C)Oc1ccc(CC(N)=NO)cc1
InChIInChI=1S/C12H18N2O3/c1-9(8-16-2)17-11-5-3-10(4-6-11)7-12(13)14-15/h3-6,9,15H,7-8H2,1-2H3,(H2,13,14)
InChIKeyCWVAQPCWWGTLFO-UHFFFAOYSA-N
XLogP1.39
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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

(NE)-N-[1-[4-(1-methoxypropan-2-yloxy)phenyl]propan-2-ylidene]hydroxylamine
CID 113323073
1-(1-methoxypropan-2-yloxy)-4-methylbenzene
CID 64765827
2-bromo-N'-hydroxy-4-(1-methoxypropan-2-yloxy)benzenecarboximidamide
CID 107279012
N'-hydroxy-3-[(4-methoxyphenyl)methoxy]butanimidamide
CID 114996616
N'-hydroxy-2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanimidamide
CID 156545746
N-[4-[(2Z)-2-amino-2-hydroxyiminoethyl]phenyl]-2-methoxypropanamide
CID 113374820
N'-hydroxy-2-[4-(2-methoxyethylsulfonylamino)phenyl]ethanimidamide
CID 76938646
N'-hydroxy-4-[2-(1-methoxypropan-2-yloxy)ethoxy]benzenecarboximidamide
CID 77015867
2-[4-[(4-fluorophenyl)methoxy]phenyl]-N'-hydroxyethanimidamide
CID 24692353
2-(4-cyclopentyloxyphenyl)-N'-hydroxyethanimidamide
CID 24704646
N'-hydroxy-2-phenylethanimidamide
CID 6074309
[4-(2-amino-2-hydroxyiminoethyl)phenyl] N-tert-butylcarbamate
CID 175154963

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[4-(1-methoxypropan-2-yloxy)phenyl]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[4-(1-methoxypropan-2-yloxy)phenyl]ethanimidamide (CID 77020797) is N'-hydroxy-2-[4-(1-methoxypropan-2-yloxy)phenyl]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[4-(1-methoxypropan-2-yloxy)phenyl]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[4-(1-methoxypropan-2-yloxy)phenyl]ethanimidamide is COCC(C)Oc1ccc(CC(N)=NO)cc1.
What is the InChIKey of N'-hydroxy-2-[4-(1-methoxypropan-2-yloxy)phenyl]ethanimidamide?
The InChIKey is CWVAQPCWWGTLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-9(8-16-2)17-11-5-3-10(4-6-11)7-12(13)14-15/h3-6,9,15H,7-8H2,1-2H3,(H2,13,14).
What are the key properties of N'-hydroxy-2-[4-(1-methoxypropan-2-yloxy)phenyl]ethanimidamide?
N'-hydroxy-2-[4-(1-methoxypropan-2-yloxy)phenyl]ethanimidamide has a molecular weight of 238.29 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[4-(1-methoxypropan-2-yloxy)phenyl]ethanimidamide is sourced from PubChem (CID 77020797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).