N'-hydroxy-4-methoxy-3-(morpholin-2-ylmethyl)benzenecarboximidamide

C13H19N3O3 — CID 90798622

IUPACN'-hydroxy-4-methoxy-3-(morpholin-2-ylmethyl)benzenecarboximidamide
SMILESCOc1ccc(C(N)=NO)cc1CC1CNCCO1
InChIInChI=1S/C13H19N3O3/c1-18-12-3-2-9(13(14)16-17)6-10(12)7-11-8-15-4-5-19-11/h2-3,6,11,15,17H,4-5,7-8H2,1H3,(H2,14,16)
InChIKeyKEBPURQDNQNJHQ-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.32
Rot. Bonds4

About N'-hydroxy-4-methoxy-3-(morpholin-2-ylmethyl)benzenecarboximidamide

N'-hydroxy-4-methoxy-3-(morpholin-2-ylmethyl)benzenecarboximidamide (PubChem CID 90798622) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is N'-hydroxy-4-methoxy-3-(morpholin-2-ylmethyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-methoxy-3-(morpholin-2-ylmethyl)benzenecarboximidamide
PubChem CID90798622
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC NameN'-hydroxy-4-methoxy-3-(morpholin-2-ylmethyl)benzenecarboximidamide
SMILESCOc1ccc(C(N)=NO)cc1CC1CNCCO1
InChIInChI=1S/C13H19N3O3/c1-18-12-3-2-9(13(14)16-17)6-10(12)7-11-8-15-4-5-19-11/h2-3,6,11,15,17H,4-5,7-8H2,1H3,(H2,14,16)
InChIKeyKEBPURQDNQNJHQ-UHFFFAOYSA-N
XLogP0.32
TPSA89.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-methoxy-3-(morpholin-2-ylmethyl)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-methoxy-3-(morpholin-2-ylmethyl)benzenecarboximidamide (CID 90798622) is N'-hydroxy-4-methoxy-3-(morpholin-2-ylmethyl)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-methoxy-3-(morpholin-2-ylmethyl)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-methoxy-3-(morpholin-2-ylmethyl)benzenecarboximidamide is COc1ccc(C(N)=NO)cc1CC1CNCCO1.
What is the InChIKey of N'-hydroxy-4-methoxy-3-(morpholin-2-ylmethyl)benzenecarboximidamide?
The InChIKey is KEBPURQDNQNJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-18-12-3-2-9(13(14)16-17)6-10(12)7-11-8-15-4-5-19-11/h2-3,6,11,15,17H,4-5,7-8H2,1H3,(H2,14,16).
What are the key properties of N'-hydroxy-4-methoxy-3-(morpholin-2-ylmethyl)benzenecarboximidamide?
N'-hydroxy-4-methoxy-3-(morpholin-2-ylmethyl)benzenecarboximidamide has a molecular weight of 265.31 g/mol, XLogP of 0.32, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-methoxy-3-(morpholin-2-ylmethyl)benzenecarboximidamide is sourced from PubChem (CID 90798622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).