2-[(4-methoxy-2-nitro-5-phenylmethoxyphenyl)methylideneamino]guanidine

C16H17N5O4 — CID 168591750

IUPAC2-[(4-methoxy-2-nitro-5-phenylmethoxyphenyl)methylideneamino]guanidine
SMILESCOc1cc([N+](=O)[O-])c(C=NN=C(N)N)cc1OCc1ccccc1
InChIInChI=1S/C16H17N5O4/c1-24-14-8-13(21(22)23)12(9-19-20-16(17)18)7-15(14)25-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H4,17,18,20)
InChIKeyAESZPMWOPVXPEL-UHFFFAOYSA-N
MW343.34 g/mol
LogP1.79
Rot. Bonds7

About 2-[(4-methoxy-2-nitro-5-phenylmethoxyphenyl)methylideneamino]guanidine

2-[(4-methoxy-2-nitro-5-phenylmethoxyphenyl)methylideneamino]guanidine (PubChem CID 168591750) has the molecular formula C16H17N5O4 and a molecular weight of 343.34 g/mol. Its IUPAC name is 2-[(4-methoxy-2-nitro-5-phenylmethoxyphenyl)methylideneamino]guanidine.

Molecular Properties

Compound Name2-[(4-methoxy-2-nitro-5-phenylmethoxyphenyl)methylideneamino]guanidine
PubChem CID168591750
Molecular FormulaC16H17N5O4
Molecular Weight343.34 g/mol
Exact Mass343.13
IUPAC Name2-[(4-methoxy-2-nitro-5-phenylmethoxyphenyl)methylideneamino]guanidine
SMILESCOc1cc([N+](=O)[O-])c(C=NN=C(N)N)cc1OCc1ccccc1
InChIInChI=1S/C16H17N5O4/c1-24-14-8-13(21(22)23)12(9-19-20-16(17)18)7-15(14)25-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H4,17,18,20)
InChIKeyAESZPMWOPVXPEL-UHFFFAOYSA-N
XLogP1.79
TPSA138.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 51.79
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

2-[(4-methoxy-2-nitro-5-phenylmethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168575203
4-[5-(4-formyl-5-nitro-2-phenylmethoxyphenoxy)pentoxy]-5-methoxy-2-nitrobenzaldehyde
CID 90421178
3-acetamido-N-[(Z)-(5-methoxy-2-nitro-4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6039924
N-[2-[2-[(5-methoxy-2-nitro-4-phenylmethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
CID 3836904
5-[(5-methoxy-2-nitro-4-phenylmethoxyphenyl)methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 1348609
N-[(5-methoxy-2-nitro-4-phenylmethoxyphenyl)methylideneamino]-2-(2-methylphenoxy)propanamide
CID 3263380
3-[(E)-(5-methoxy-2-nitro-4-phenylmethoxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 126218778
methyl 5-methoxy-2-nitro-4-phenylmethoxybenzoate
CID 22667033
5-methoxy-2-nitro-4-phenylmethoxybenzoyl chloride
CID 12506411
N-benzyl-5-methoxy-2-nitro-4-phenylmethoxybenzamide
CID 139213694
ethyl 2-[(5-methoxy-2-nitro-4-phenylmethoxyphenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 126209374
N-(3-chlorophenyl)-N'-[(5-methoxy-2-nitro-4-phenylmethoxyphenyl)methylideneamino]butanediamide
CID 5213889

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxy-2-nitro-5-phenylmethoxyphenyl)methylideneamino]guanidine?
The IUPAC name of 2-[(4-methoxy-2-nitro-5-phenylmethoxyphenyl)methylideneamino]guanidine (CID 168591750) is 2-[(4-methoxy-2-nitro-5-phenylmethoxyphenyl)methylideneamino]guanidine.
What is the SMILES notation for 2-[(4-methoxy-2-nitro-5-phenylmethoxyphenyl)methylideneamino]guanidine?
The canonical SMILES for 2-[(4-methoxy-2-nitro-5-phenylmethoxyphenyl)methylideneamino]guanidine is COc1cc([N+](=O)[O-])c(C=NN=C(N)N)cc1OCc1ccccc1.
What is the InChIKey of 2-[(4-methoxy-2-nitro-5-phenylmethoxyphenyl)methylideneamino]guanidine?
The InChIKey is AESZPMWOPVXPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O4/c1-24-14-8-13(21(22)23)12(9-19-20-16(17)18)7-15(14)25-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H4,17,18,20).
What are the key properties of 2-[(4-methoxy-2-nitro-5-phenylmethoxyphenyl)methylideneamino]guanidine?
2-[(4-methoxy-2-nitro-5-phenylmethoxyphenyl)methylideneamino]guanidine has a molecular weight of 343.34 g/mol, XLogP of 1.79, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-2-nitro-5-phenylmethoxyphenyl)methylideneamino]guanidine is sourced from PubChem (CID 168591750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).