N'-[(4-nitrophenyl)methoxy]-2-phenylethanimidamide

C15H15N3O3 — CID 52530036

IUPACN'-[(4-nitrophenyl)methoxy]-2-phenylethanimidamide
SMILESN/C(Cc1ccccc1)=N/OCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H15N3O3/c16-15(10-12-4-2-1-3-5-12)17-21-11-13-6-8-14(9-7-13)18(19)20/h1-9H,10-11H2,(H2,16,17)
InChIKeyAMCCYIKZKXPYAX-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.63
Rot. Bonds6

About N'-[(4-nitrophenyl)methoxy]-2-phenylethanimidamide

N'-[(4-nitrophenyl)methoxy]-2-phenylethanimidamide (PubChem CID 52530036) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is N'-[(4-nitrophenyl)methoxy]-2-phenylethanimidamide.

Molecular Properties

Compound NameN'-[(4-nitrophenyl)methoxy]-2-phenylethanimidamide
PubChem CID52530036
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC NameN'-[(4-nitrophenyl)methoxy]-2-phenylethanimidamide
SMILESN/C(Cc1ccccc1)=N/OCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H15N3O3/c16-15(10-12-4-2-1-3-5-12)17-21-11-13-6-8-14(9-7-13)18(19)20/h1-9H,10-11H2,(H2,16,17)
InChIKeyAMCCYIKZKXPYAX-UHFFFAOYSA-N
XLogP2.63
TPSA90.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.63
H-Bond Donors ≤ 51
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': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(4-nitrophenyl)methoxy]guanidine
CID 23036888
[(Z)-[1-amino-2-(4-nitrophenyl)ethylidene]amino] benzoate
CID 5361930
N'-[[4-(hydroxymethyl)phenyl]methoxy]-2-phenylethanimidamide
CID 110005958
N'-[(4-methylphenyl)methoxy]-2-phenylethanimidamide
CID 60548435
[[1-amino-2-(4-chlorophenyl)ethylidene]amino] 2-(4-nitrophenyl)acetate
CID 2876830
3-methyl-N'-[(3-nitrophenyl)methoxy]butanimidamide
CID 103598784
[(Z)-[1-amino-2-(4-nitrophenyl)ethylidene]amino] naphthalene-2-carboxylate
CID 5346107
(E)-1-(4-nitrophenyl)-N-phenylmethoxymethanimine
CID 13147214
1-nitro-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 561294
[[1-amino-2-(4-nitrophenyl)ethylidene]amino] 3-iodobenzoate
CID 2889574
benzyl N-(4-nitroanilino)carbamate
CID 101274161
bis[(4-nitrophenyl)methyl] benzene-1,2-dicarboxylate
CID 88636598

Frequently Asked Questions

What is the IUPAC name of N'-[(4-nitrophenyl)methoxy]-2-phenylethanimidamide?
The IUPAC name of N'-[(4-nitrophenyl)methoxy]-2-phenylethanimidamide (CID 52530036) is N'-[(4-nitrophenyl)methoxy]-2-phenylethanimidamide.
What is the SMILES notation for N'-[(4-nitrophenyl)methoxy]-2-phenylethanimidamide?
The canonical SMILES for N'-[(4-nitrophenyl)methoxy]-2-phenylethanimidamide is N/C(Cc1ccccc1)=N/OCc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N'-[(4-nitrophenyl)methoxy]-2-phenylethanimidamide?
The InChIKey is AMCCYIKZKXPYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c16-15(10-12-4-2-1-3-5-12)17-21-11-13-6-8-14(9-7-13)18(19)20/h1-9H,10-11H2,(H2,16,17).
What are the key properties of N'-[(4-nitrophenyl)methoxy]-2-phenylethanimidamide?
N'-[(4-nitrophenyl)methoxy]-2-phenylethanimidamide has a molecular weight of 285.30 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-nitrophenyl)methoxy]-2-phenylethanimidamide is sourced from PubChem (CID 52530036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).