2-[(Z)-[3-methoxy-4-[(2-methylphenyl)methoxy]-5-nitrophenyl]methylideneamino]guanidine

C17H19N5O4 — CID 110535319

IUPAC2-[(Z)-[3-methoxy-4-[(2-methylphenyl)methoxy]-5-nitrophenyl]methylideneamino]guanidine
SMILESCOc1cc(/C=N\N=C(N)N)cc([N+](=O)[O-])c1OCc1ccccc1C
InChIInChI=1S/C17H19N5O4/c1-11-5-3-4-6-13(11)10-26-16-14(22(23)24)7-12(8-15(16)25-2)9-20-21-17(18)19/h3-9H,10H2,1-2H3,(H4,18,19,21)/b20-9-
InChIKeyFFVHQDOMYBLGHX-UKWGHVSLSA-N
MW357.37 g/mol
LogP2.10
Rot. Bonds7

About 2-[(Z)-[3-methoxy-4-[(2-methylphenyl)methoxy]-5-nitrophenyl]methylideneamino]guanidine

2-[(Z)-[3-methoxy-4-[(2-methylphenyl)methoxy]-5-nitrophenyl]methylideneamino]guanidine (PubChem CID 110535319) has the molecular formula C17H19N5O4 and a molecular weight of 357.37 g/mol. Its IUPAC name is 2-[(Z)-[3-methoxy-4-[(2-methylphenyl)methoxy]-5-nitrophenyl]methylideneamino]guanidine.

Molecular Properties

Compound Name2-[(Z)-[3-methoxy-4-[(2-methylphenyl)methoxy]-5-nitrophenyl]methylideneamino]guanidine
PubChem CID110535319
Molecular FormulaC17H19N5O4
Molecular Weight357.37 g/mol
Exact Mass357.14
IUPAC Name2-[(Z)-[3-methoxy-4-[(2-methylphenyl)methoxy]-5-nitrophenyl]methylideneamino]guanidine
SMILESCOc1cc(/C=N\N=C(N)N)cc([N+](=O)[O-])c1OCc1ccccc1C
InChIInChI=1S/C17H19N5O4/c1-11-5-3-4-6-13(11)10-26-16-14(22(23)24)7-12(8-15(16)25-2)9-20-21-17(18)19/h3-9H,10H2,1-2H3,(H4,18,19,21)/b20-9-
InChIKeyFFVHQDOMYBLGHX-UKWGHVSLSA-N
XLogP2.10
TPSA138.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[(Z)-[3-methoxy-4-[(2-methylphenyl)methoxy]-5-nitrophenyl]methylideneamino]urea
CID 110535239
2-[(Z)-(3-methoxy-5-nitro-4-pentoxyphenyl)methylideneamino]guanidine
CID 110537469
N-[(E)-[3-methoxy-4-[(2-methylphenyl)methoxy]-5-nitrophenyl]methylideneamino]pentanamide
CID 110506854
(NZ)-N-[[3-methoxy-4-[(2-methylphenyl)methoxy]-5-nitrophenyl]methylidene]thiophene-2-sulfonamide
CID 110518538
1-cyclohexyl-3-[(Z)-[3-methoxy-4-[(2-methylphenyl)methoxy]-5-nitrophenyl]methylideneamino]thiourea
CID 110529768
2-[[4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl]methylideneamino]guanidine
CID 168593046
N-[(3-methoxy-5-nitro-4-phenylmethoxyphenyl)methylidene]hydroxylamine
CID 142496937
2-[[4-methoxy-3-[(4-methyl-2-nitrophenoxy)methyl]phenyl]methylideneamino]guanidine
CID 168593053
2-[[3-bromo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]guanidine
CID 2716663
2-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]guanidine;hydrochloride
CID 118705656
2-[(4-methoxy-2-nitro-5-phenylmethoxyphenyl)methylideneamino]guanidine
CID 168591750
2-(4-aminophenyl)-N-[(Z)-(3-methoxy-5-nitro-4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 110515122

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-[3-methoxy-4-[(2-methylphenyl)methoxy]-5-nitrophenyl]methylideneamino]guanidine?
The IUPAC name of 2-[(Z)-[3-methoxy-4-[(2-methylphenyl)methoxy]-5-nitrophenyl]methylideneamino]guanidine (CID 110535319) is 2-[(Z)-[3-methoxy-4-[(2-methylphenyl)methoxy]-5-nitrophenyl]methylideneamino]guanidine.
What is the SMILES notation for 2-[(Z)-[3-methoxy-4-[(2-methylphenyl)methoxy]-5-nitrophenyl]methylideneamino]guanidine?
The canonical SMILES for 2-[(Z)-[3-methoxy-4-[(2-methylphenyl)methoxy]-5-nitrophenyl]methylideneamino]guanidine is COc1cc(/C=N\N=C(N)N)cc([N+](=O)[O-])c1OCc1ccccc1C.
What is the InChIKey of 2-[(Z)-[3-methoxy-4-[(2-methylphenyl)methoxy]-5-nitrophenyl]methylideneamino]guanidine?
The InChIKey is FFVHQDOMYBLGHX-UKWGHVSLSA-N. The full InChI is InChI=1S/C17H19N5O4/c1-11-5-3-4-6-13(11)10-26-16-14(22(23)24)7-12(8-15(16)25-2)9-20-21-17(18)19/h3-9H,10H2,1-2H3,(H4,18,19,21)/b20-9-.
What are the key properties of 2-[(Z)-[3-methoxy-4-[(2-methylphenyl)methoxy]-5-nitrophenyl]methylideneamino]guanidine?
2-[(Z)-[3-methoxy-4-[(2-methylphenyl)methoxy]-5-nitrophenyl]methylideneamino]guanidine has a molecular weight of 357.37 g/mol, XLogP of 2.10, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-[3-methoxy-4-[(2-methylphenyl)methoxy]-5-nitrophenyl]methylideneamino]guanidine is sourced from PubChem (CID 110535319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).