2-[[3-[(4-benzoylphenyl)methoxy]phenyl]methylideneamino]guanidine

C22H20N4O2 — CID 74184183

IUPAC2-[[3-[(4-benzoylphenyl)methoxy]phenyl]methylideneamino]guanidine
SMILESNC(N)=NN=Cc1cccc(OCc2ccc(C(=O)c3ccccc3)cc2)c1
InChIInChI=1S/C22H20N4O2/c23-22(24)26-25-14-17-5-4-8-20(13-17)28-15-16-9-11-19(12-10-16)21(27)18-6-2-1-3-7-18/h1-14H,15H2,(H4,23,24,26)
InChIKeyROCDIHAUKUGXMY-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.10
Rot. Bonds7

About 2-[[3-[(4-benzoylphenyl)methoxy]phenyl]methylideneamino]guanidine

2-[[3-[(4-benzoylphenyl)methoxy]phenyl]methylideneamino]guanidine (PubChem CID 74184183) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is 2-[[3-[(4-benzoylphenyl)methoxy]phenyl]methylideneamino]guanidine.

Molecular Properties

Compound Name2-[[3-[(4-benzoylphenyl)methoxy]phenyl]methylideneamino]guanidine
PubChem CID74184183
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC Name2-[[3-[(4-benzoylphenyl)methoxy]phenyl]methylideneamino]guanidine
SMILESNC(N)=NN=Cc1cccc(OCc2ccc(C(=O)c3ccccc3)cc2)c1
InChIInChI=1S/C22H20N4O2/c23-22(24)26-25-14-17-5-4-8-20(13-17)28-15-16-9-11-19(12-10-16)21(27)18-6-2-1-3-7-18/h1-14H,15H2,(H4,23,24,26)
InChIKeyROCDIHAUKUGXMY-UHFFFAOYSA-N
XLogP3.10
TPSA103.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(E)-[3-[(4-bromophenyl)methoxy]phenyl]methylideneamino]guanidine
CID 110338183
2-[[3-[(4-chloro-3-fluorophenyl)methoxy]phenyl]methylideneamino]guanidine
CID 168590804
[4-(phenoxymethyl)phenyl]-phenylmethanone
CID 1262878
2-[[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]guanidine
CID 168592571
2-[[3-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]guanidine
CID 168590728
2-[(3-ethoxyphenyl)methylideneamino]guanidine
CID 76880079
ethyl 2-[3-[(Z)-(diaminomethylidenehydrazinylidene)methyl]phenoxy]acetate
CID 71670101
4-hydroxy-N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6900167
(3-phenylmethoxyphenyl)methylidenehydrazine
CID 23916805
4-fluoro-N-[(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 679117
2-[[3-(2,2,2-trifluoroethoxy)phenyl]methylideneamino]guanidine
CID 168592270
2-[(E)-(3-butoxyphenyl)methylideneamino]guanidine
CID 110340446

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(4-benzoylphenyl)methoxy]phenyl]methylideneamino]guanidine?
The IUPAC name of 2-[[3-[(4-benzoylphenyl)methoxy]phenyl]methylideneamino]guanidine (CID 74184183) is 2-[[3-[(4-benzoylphenyl)methoxy]phenyl]methylideneamino]guanidine.
What is the SMILES notation for 2-[[3-[(4-benzoylphenyl)methoxy]phenyl]methylideneamino]guanidine?
The canonical SMILES for 2-[[3-[(4-benzoylphenyl)methoxy]phenyl]methylideneamino]guanidine is NC(N)=NN=Cc1cccc(OCc2ccc(C(=O)c3ccccc3)cc2)c1.
What is the InChIKey of 2-[[3-[(4-benzoylphenyl)methoxy]phenyl]methylideneamino]guanidine?
The InChIKey is ROCDIHAUKUGXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c23-22(24)26-25-14-17-5-4-8-20(13-17)28-15-16-9-11-19(12-10-16)21(27)18-6-2-1-3-7-18/h1-14H,15H2,(H4,23,24,26).
What are the key properties of 2-[[3-[(4-benzoylphenyl)methoxy]phenyl]methylideneamino]guanidine?
2-[[3-[(4-benzoylphenyl)methoxy]phenyl]methylideneamino]guanidine has a molecular weight of 372.43 g/mol, XLogP of 3.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(4-benzoylphenyl)methoxy]phenyl]methylideneamino]guanidine is sourced from PubChem (CID 74184183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).