N-[(3-hexoxy-4-methoxyphenyl)methylidene]hydroxylamine

C14H21NO3 — CID 20986617

IUPACN-[(3-hexoxy-4-methoxyphenyl)methylidene]hydroxylamine
SMILESCCCCCCOc1cc(C=NO)ccc1OC
InChIInChI=1S/C14H21NO3/c1-3-4-5-6-9-18-14-10-12(11-15-16)7-8-13(14)17-2/h7-8,10-11,16H,3-6,9H2,1-2H3
InChIKeyZWPMIEXUSFFOAW-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.46
Rot. Bonds8

About N-[(3-hexoxy-4-methoxyphenyl)methylidene]hydroxylamine

N-[(3-hexoxy-4-methoxyphenyl)methylidene]hydroxylamine (PubChem CID 20986617) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[(3-hexoxy-4-methoxyphenyl)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(3-hexoxy-4-methoxyphenyl)methylidene]hydroxylamine
PubChem CID20986617
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC NameN-[(3-hexoxy-4-methoxyphenyl)methylidene]hydroxylamine
SMILESCCCCCCOc1cc(C=NO)ccc1OC
InChIInChI=1S/C14H21NO3/c1-3-4-5-6-9-18-14-10-12(11-15-16)7-8-13(14)17-2/h7-8,10-11,16H,3-6,9H2,1-2H3
InChIKeyZWPMIEXUSFFOAW-UHFFFAOYSA-N
XLogP3.46
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.46
H-Bond Donors ≤ 51
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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(NZ)-N-[(3-ethoxy-4-methoxyphenyl)methylidene]hydroxylamine
CID 6199793
(3-butoxy-4-methoxyphenyl)methylidenehydrazine
CID 168529239
1-(3-methoxy-4-octoxyphenyl)-N-[4-[(3-methoxy-4-octoxyphenyl)methylideneamino]phenyl]methanimine
CID 102253343
2-[(3-methoxy-4-pentoxyphenyl)methylideneamino]guanidine
CID 168590620
[(Z)-(3-methoxy-4-nonoxyphenyl)methylideneamino]urea
CID 110536766
[(4-hexoxy-3-methoxyphenyl)methylideneamino]urea
CID 84903812
[(E)-(4-hexadecoxy-3-methoxyphenyl)methylideneamino]urea
CID 10812700
2-[(E)-[3-[5-[5-[(E)-(diaminomethylidenehydrazinylidene)methyl]-2-methoxyphenoxy]pentoxy]-4-methoxyphenyl]methylideneamino]guanidine
CID 21195025
N-[[3-[2-(2,6-dimethylphenoxy)ethoxy]-4-methoxyphenyl]methylidene]hydroxylamine
CID 22685000
N-[[3-[2-(4-fluorophenoxy)ethoxy]-4-methoxyphenyl]methylidene]hydroxylamine
CID 20992695
N-[[3-[2-(2,4-dichlorophenoxy)ethoxy]-4-methoxyphenyl]methylidene]hydroxylamine
CID 22679937
(NE)-N-[[3-[2-(2,5-dimethylphenoxy)ethoxy]-4-methoxyphenyl]methylidene]hydroxylamine
CID 42337956

Frequently Asked Questions

What is the IUPAC name of N-[(3-hexoxy-4-methoxyphenyl)methylidene]hydroxylamine?
The IUPAC name of N-[(3-hexoxy-4-methoxyphenyl)methylidene]hydroxylamine (CID 20986617) is N-[(3-hexoxy-4-methoxyphenyl)methylidene]hydroxylamine.
What is the SMILES notation for N-[(3-hexoxy-4-methoxyphenyl)methylidene]hydroxylamine?
The canonical SMILES for N-[(3-hexoxy-4-methoxyphenyl)methylidene]hydroxylamine is CCCCCCOc1cc(C=NO)ccc1OC.
What is the InChIKey of N-[(3-hexoxy-4-methoxyphenyl)methylidene]hydroxylamine?
The InChIKey is ZWPMIEXUSFFOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-3-4-5-6-9-18-14-10-12(11-15-16)7-8-13(14)17-2/h7-8,10-11,16H,3-6,9H2,1-2H3.
What are the key properties of N-[(3-hexoxy-4-methoxyphenyl)methylidene]hydroxylamine?
N-[(3-hexoxy-4-methoxyphenyl)methylidene]hydroxylamine has a molecular weight of 251.33 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hexoxy-4-methoxyphenyl)methylidene]hydroxylamine is sourced from PubChem (CID 20986617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).