N'-hydroxy-5-[(3-methoxyphenyl)methoxy]pentanimidamide

C13H20N2O3 — CID 109374643

IUPACN'-hydroxy-5-[(3-methoxyphenyl)methoxy]pentanimidamide
SMILESCOc1cccc(COCCCC/C(N)=N/O)c1
InChIInChI=1S/C13H20N2O3/c1-17-12-6-4-5-11(9-12)10-18-8-3-2-7-13(14)15-16/h4-6,9,16H,2-3,7-8,10H2,1H3,(H2,14,15)
InChIKeyIRYVJUUHVBGXRJ-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.13
Rot. Bonds8

About N'-hydroxy-5-[(3-methoxyphenyl)methoxy]pentanimidamide

N'-hydroxy-5-[(3-methoxyphenyl)methoxy]pentanimidamide (PubChem CID 109374643) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is N'-hydroxy-5-[(3-methoxyphenyl)methoxy]pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-5-[(3-methoxyphenyl)methoxy]pentanimidamide
PubChem CID109374643
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC NameN'-hydroxy-5-[(3-methoxyphenyl)methoxy]pentanimidamide
SMILESCOc1cccc(COCCCC/C(N)=N/O)c1
InChIInChI=1S/C13H20N2O3/c1-17-12-6-4-5-11(9-12)10-18-8-3-2-7-13(14)15-16/h4-6,9,16H,2-3,7-8,10H2,1H3,(H2,14,15)
InChIKeyIRYVJUUHVBGXRJ-UHFFFAOYSA-N
XLogP2.13
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.13
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-3-[(3-methoxyphenyl)methoxy]propanimidamide
CID 24695934
N'-hydroxy-5-[(4-methoxyphenyl)methoxy]pentanimidamide
CID 54965654
5-[(3-methoxyphenyl)methoxy]pentanimidamide
CID 54966332
5-(3-ethylphenoxy)-N'-hydroxypentanimidamide
CID 54965601
N'-hydroxy-2-(3-methoxyphenyl)ethanimidamide
CID 4601584
1-(9-bromononoxymethyl)-3-methoxybenzene
CID 105343271
N'-hydroxy-2-(3-methoxyphenyl)ethanimidamide;hydrochloride
CID 57368856
6-[(3-methoxyphenyl)methoxy]hexan-3-one
CID 106801987
2-[(3-methoxyphenyl)methoxy]ethanamine;hydrochloride
CID 71757143
5-(3-tert-butylphenoxy)-N'-hydroxypentanimidamide
CID 109374748
3-[(3-methoxyphenyl)methoxymethyl]benzenecarbothioamide
CID 24701742
N'-hydroxy-3-[(3-methoxyphenoxy)methyl]benzenecarboximidamide
CID 24699055

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-[(3-methoxyphenyl)methoxy]pentanimidamide?
The IUPAC name of N'-hydroxy-5-[(3-methoxyphenyl)methoxy]pentanimidamide (CID 109374643) is N'-hydroxy-5-[(3-methoxyphenyl)methoxy]pentanimidamide.
What is the SMILES notation for N'-hydroxy-5-[(3-methoxyphenyl)methoxy]pentanimidamide?
The canonical SMILES for N'-hydroxy-5-[(3-methoxyphenyl)methoxy]pentanimidamide is COc1cccc(COCCCC/C(N)=N/O)c1.
What is the InChIKey of N'-hydroxy-5-[(3-methoxyphenyl)methoxy]pentanimidamide?
The InChIKey is IRYVJUUHVBGXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-17-12-6-4-5-11(9-12)10-18-8-3-2-7-13(14)15-16/h4-6,9,16H,2-3,7-8,10H2,1H3,(H2,14,15).
What are the key properties of N'-hydroxy-5-[(3-methoxyphenyl)methoxy]pentanimidamide?
N'-hydroxy-5-[(3-methoxyphenyl)methoxy]pentanimidamide has a molecular weight of 252.31 g/mol, XLogP of 2.13, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-[(3-methoxyphenyl)methoxy]pentanimidamide is sourced from PubChem (CID 109374643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).