N-[(2-hydroxy-5-methoxyphenyl)methyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide

C17H27N3O2 — CID 109453574

IUPACN-[(2-hydroxy-5-methoxyphenyl)methyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide
SMILESC/N=C(\NCc1cc(OC)ccc1O)N1CC(C)(C)C1(C)C
InChIInChI=1S/C17H27N3O2/c1-16(2)11-20(17(16,3)4)15(18-5)19-10-12-9-13(22-6)7-8-14(12)21/h7-9,21H,10-11H2,1-6H3,(H,18,19)
InChIKeyJOVKWDMOGGURJJ-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.60
Rot. Bonds3

About N-[(2-hydroxy-5-methoxyphenyl)methyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide

N-[(2-hydroxy-5-methoxyphenyl)methyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide (PubChem CID 109453574) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-[(2-hydroxy-5-methoxyphenyl)methyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide.

Molecular Properties

Compound NameN-[(2-hydroxy-5-methoxyphenyl)methyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide
PubChem CID109453574
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC NameN-[(2-hydroxy-5-methoxyphenyl)methyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide
SMILESC/N=C(\NCc1cc(OC)ccc1O)N1CC(C)(C)C1(C)C
InChIInChI=1S/C17H27N3O2/c1-16(2)11-20(17(16,3)4)15(18-5)19-10-12-9-13(22-6)7-8-14(12)21/h7-9,21H,10-11H2,1-6H3,(H,18,19)
InChIKeyJOVKWDMOGGURJJ-UHFFFAOYSA-N
XLogP2.60
TPSA57.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[(4-methoxyphenyl)methyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide
CID 109452660
N-ethyl-N'-[(2-hydroxy-5-methoxyphenyl)methyl]-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide
CID 109453455
N-[2-(4-methoxyphenyl)ethyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide
CID 109452664
N-[2-(3-methoxy-4-methylphenyl)ethyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide
CID 109451770
methyl 4-[[[N-methyl-C-(2,2,3,3-tetramethylazetidin-1-yl)carbonimidoyl]amino]methyl]benzoate;hydroiodide
CID 109451908
N-(1,3-benzodioxol-5-ylmethyl)-N',2,2,3,3-pentamethylazetidine-1-carboximidamide
CID 109452287
1-[(2-hydroxy-5-methoxyphenyl)methyl]-2-methyl-3-propylguanidine
CID 111794027
1-[3-(azepan-1-yl)propyl]-3-[(2-hydroxy-5-methoxyphenyl)methyl]-2-methylguanidine
CID 111795853
1-[(2-hydroxy-5-methoxyphenyl)methyl]-2-methyl-3-propylguanidine;hydroiodide
CID 111794026
N-[(4-methoxy-3-prop-2-ynoxyphenyl)methyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide
CID 109454214
1-[(2-hydroxy-5-methoxyphenyl)methyl]-2-methyl-3-(2-morpholin-4-ylethyl)guanidine
CID 111793140
N-(3-methoxypropyl)-N',2,2,3,3-pentamethylazetidine-1-carboximidamide
CID 109453350

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-5-methoxyphenyl)methyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide?
The IUPAC name of N-[(2-hydroxy-5-methoxyphenyl)methyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide (CID 109453574) is N-[(2-hydroxy-5-methoxyphenyl)methyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide.
What is the SMILES notation for N-[(2-hydroxy-5-methoxyphenyl)methyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide?
The canonical SMILES for N-[(2-hydroxy-5-methoxyphenyl)methyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide is C/N=C(\NCc1cc(OC)ccc1O)N1CC(C)(C)C1(C)C.
What is the InChIKey of N-[(2-hydroxy-5-methoxyphenyl)methyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide?
The InChIKey is JOVKWDMOGGURJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-16(2)11-20(17(16,3)4)15(18-5)19-10-12-9-13(22-6)7-8-14(12)21/h7-9,21H,10-11H2,1-6H3,(H,18,19).
What are the key properties of N-[(2-hydroxy-5-methoxyphenyl)methyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide?
N-[(2-hydroxy-5-methoxyphenyl)methyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide has a molecular weight of 305.42 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-5-methoxyphenyl)methyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide is sourced from PubChem (CID 109453574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).