4-(heptoxymethyl)-N'-hydroxy-2-methoxybenzenecarboximidamide

C16H26N2O3 — CID 106790332

IUPAC4-(heptoxymethyl)-N'-hydroxy-2-methoxybenzenecarboximidamide
SMILESCCCCCCCOCc1ccc(/C(N)=N/O)c(OC)c1
InChIInChI=1S/C16H26N2O3/c1-3-4-5-6-7-10-21-12-13-8-9-14(16(17)18-19)15(11-13)20-2/h8-9,11,19H,3-7,10,12H2,1-2H3,(H2,17,18)
InChIKeyYKEHGGNRGJBXGR-UHFFFAOYSA-N
MW294.39 g/mol
LogP3.28
Rot. Bonds10

About 4-(heptoxymethyl)-N'-hydroxy-2-methoxybenzenecarboximidamide

4-(heptoxymethyl)-N'-hydroxy-2-methoxybenzenecarboximidamide (PubChem CID 106790332) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 4-(heptoxymethyl)-N'-hydroxy-2-methoxybenzenecarboximidamide.

Molecular Properties

Compound Name4-(heptoxymethyl)-N'-hydroxy-2-methoxybenzenecarboximidamide
PubChem CID106790332
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name4-(heptoxymethyl)-N'-hydroxy-2-methoxybenzenecarboximidamide
SMILESCCCCCCCOCc1ccc(/C(N)=N/O)c(OC)c1
InChIInChI=1S/C16H26N2O3/c1-3-4-5-6-7-10-21-12-13-8-9-14(16(17)18-19)15(11-13)20-2/h8-9,11,19H,3-7,10,12H2,1-2H3,(H2,17,18)
InChIKeyYKEHGGNRGJBXGR-UHFFFAOYSA-N
XLogP3.28
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 53.28
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

N'-hydroxy-2-methoxy-4-(3-methoxypropoxymethyl)benzenecarboximidamide
CID 106790372
N'-hydroxy-2-methoxy-4-(4,4,4-trifluorobutoxymethyl)benzenecarboximidamide
CID 106790455
2-methoxy-5-(octoxymethyl)benzenecarbothioamide
CID 65344193
N'-hydroxy-2-methoxy-4-(2-methylpropoxymethyl)benzenecarboximidamide
CID 106790281
2-methoxy-4-(tetradecoxymethyl)phenol
CID 15468909
N'-hydroxy-2-methoxy-4-(oxan-4-ylmethoxymethyl)benzenecarboximidamide
CID 106790406
N'-hydroxy-2-methoxy-5-(4-methylpentoxymethyl)benzenecarboximidamide
CID 77066162
N'-hydroxy-4-methyl-2-octoxybenzenecarboximidamide
CID 76999670
2-methoxy-4-(octoxymethyl)benzonitrile
CID 106788564
4-[[2-ethoxyethyl(methyl)amino]methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide
CID 106789872
5-(hexoxymethyl)-1,2,3-trimethoxybenzene
CID 54336542
4-(butoxymethyl)-2-methoxyphenol;hydrochloride
CID 175330129

Frequently Asked Questions

What is the IUPAC name of 4-(heptoxymethyl)-N'-hydroxy-2-methoxybenzenecarboximidamide?
The IUPAC name of 4-(heptoxymethyl)-N'-hydroxy-2-methoxybenzenecarboximidamide (CID 106790332) is 4-(heptoxymethyl)-N'-hydroxy-2-methoxybenzenecarboximidamide.
What is the SMILES notation for 4-(heptoxymethyl)-N'-hydroxy-2-methoxybenzenecarboximidamide?
The canonical SMILES for 4-(heptoxymethyl)-N'-hydroxy-2-methoxybenzenecarboximidamide is CCCCCCCOCc1ccc(/C(N)=N/O)c(OC)c1.
What is the InChIKey of 4-(heptoxymethyl)-N'-hydroxy-2-methoxybenzenecarboximidamide?
The InChIKey is YKEHGGNRGJBXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-3-4-5-6-7-10-21-12-13-8-9-14(16(17)18-19)15(11-13)20-2/h8-9,11,19H,3-7,10,12H2,1-2H3,(H2,17,18).
What are the key properties of 4-(heptoxymethyl)-N'-hydroxy-2-methoxybenzenecarboximidamide?
4-(heptoxymethyl)-N'-hydroxy-2-methoxybenzenecarboximidamide has a molecular weight of 294.39 g/mol, XLogP of 3.28, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(heptoxymethyl)-N'-hydroxy-2-methoxybenzenecarboximidamide is sourced from PubChem (CID 106790332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).