N'-hydroxy-4-methoxy-2-[2-(3-methoxypropoxy)ethoxy]benzenecarboximidamide

C14H22N2O5 — CID 103177799

IUPACN'-hydroxy-4-methoxy-2-[2-(3-methoxypropoxy)ethoxy]benzenecarboximidamide
SMILESCOCCCOCCOc1cc(OC)ccc1/C(N)=N/O
InChIInChI=1S/C14H22N2O5/c1-18-6-3-7-20-8-9-21-13-10-11(19-2)4-5-12(13)14(15)16-17/h4-5,10,17H,3,6-9H2,1-2H3,(H2,15,16)
InChIKeyXWCOIXILYBGRDG-UHFFFAOYSA-N
MW298.34 g/mol
LogP1.22
Rot. Bonds10

About N'-hydroxy-4-methoxy-2-[2-(3-methoxypropoxy)ethoxy]benzenecarboximidamide

N'-hydroxy-4-methoxy-2-[2-(3-methoxypropoxy)ethoxy]benzenecarboximidamide (PubChem CID 103177799) has the molecular formula C14H22N2O5 and a molecular weight of 298.34 g/mol. Its IUPAC name is N'-hydroxy-4-methoxy-2-[2-(3-methoxypropoxy)ethoxy]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-methoxy-2-[2-(3-methoxypropoxy)ethoxy]benzenecarboximidamide
PubChem CID103177799
Molecular FormulaC14H22N2O5
Molecular Weight298.34 g/mol
Exact Mass298.15
IUPAC NameN'-hydroxy-4-methoxy-2-[2-(3-methoxypropoxy)ethoxy]benzenecarboximidamide
SMILESCOCCCOCCOc1cc(OC)ccc1/C(N)=N/O
InChIInChI=1S/C14H22N2O5/c1-18-6-3-7-20-8-9-21-13-10-11(19-2)4-5-12(13)14(15)16-17/h4-5,10,17H,3,6-9H2,1-2H3,(H2,15,16)
InChIKeyXWCOIXILYBGRDG-UHFFFAOYSA-N
XLogP1.22
TPSA95.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-chloro-N'-hydroxy-2-[3-(2-methoxyethoxy)propoxy]benzenecarboximidamide
CID 103402738
N'-hydroxy-2-methoxy-4-(3-methoxypropoxymethyl)benzenecarboximidamide
CID 106790372
N'-hydroxy-2-[3-(2-methoxyethoxy)propoxy]-5-methylbenzenecarboximidamide
CID 107930270
N'-hydroxy-4-(3-methoxypropoxy)-2-methylbenzenecarboximidamide
CID 81277376
3-chloro-N'-hydroxy-4-[2-(3-methoxypropoxy)ethoxy]benzenecarboximidamide
CID 103177820
4-chloro-N'-hydroxy-2-(2-propoxyethoxy)benzenecarboximidamide
CID 55233057
1-[4-methoxy-2-[3-(2-methoxyethoxy)propoxy]phenyl]propan-2-amine
CID 103411540
4-bromo-2-[2-(3-methoxypropoxy)ethoxy]benzenecarbothioamide
CID 103177666
(NE)-N-[1-[4-methoxy-2-[2-(3-methylbutoxy)ethoxy]phenyl]ethylidene]hydroxylamine
CID 82002244
N-[[5-methoxy-2-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]ethanamine
CID 103177499
4-methoxy-2-(3-methoxypropoxy)-1-methylbenzene
CID 59177328
N'-hydroxy-4-[2-(2-methoxyethoxy)ethoxy]benzenecarboximidamide
CID 61301378

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-methoxy-2-[2-(3-methoxypropoxy)ethoxy]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-methoxy-2-[2-(3-methoxypropoxy)ethoxy]benzenecarboximidamide (CID 103177799) is N'-hydroxy-4-methoxy-2-[2-(3-methoxypropoxy)ethoxy]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-methoxy-2-[2-(3-methoxypropoxy)ethoxy]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-methoxy-2-[2-(3-methoxypropoxy)ethoxy]benzenecarboximidamide is COCCCOCCOc1cc(OC)ccc1/C(N)=N/O.
What is the InChIKey of N'-hydroxy-4-methoxy-2-[2-(3-methoxypropoxy)ethoxy]benzenecarboximidamide?
The InChIKey is XWCOIXILYBGRDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O5/c1-18-6-3-7-20-8-9-21-13-10-11(19-2)4-5-12(13)14(15)16-17/h4-5,10,17H,3,6-9H2,1-2H3,(H2,15,16).
What are the key properties of N'-hydroxy-4-methoxy-2-[2-(3-methoxypropoxy)ethoxy]benzenecarboximidamide?
N'-hydroxy-4-methoxy-2-[2-(3-methoxypropoxy)ethoxy]benzenecarboximidamide has a molecular weight of 298.34 g/mol, XLogP of 1.22, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-methoxy-2-[2-(3-methoxypropoxy)ethoxy]benzenecarboximidamide is sourced from PubChem (CID 103177799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).