N'-hydroxy-4-(2-methoxy-4-nitrophenoxy)butanimidamide

C11H15N3O5 — CID 55036254

IUPACN'-hydroxy-4-(2-methoxy-4-nitrophenoxy)butanimidamide
SMILESCOc1cc([N+](=O)[O-])ccc1OCCC/C(N)=N/O
InChIInChI=1S/C11H15N3O5/c1-18-10-7-8(14(16)17)4-5-9(10)19-6-2-3-11(12)13-15/h4-5,7,15H,2-3,6H2,1H3,(H2,12,13)
InChIKeyPBNRZSFLSVCBJA-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.51
Rot. Bonds7

About N'-hydroxy-4-(2-methoxy-4-nitrophenoxy)butanimidamide

N'-hydroxy-4-(2-methoxy-4-nitrophenoxy)butanimidamide (PubChem CID 55036254) has the molecular formula C11H15N3O5 and a molecular weight of 269.26 g/mol. Its IUPAC name is N'-hydroxy-4-(2-methoxy-4-nitrophenoxy)butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-4-(2-methoxy-4-nitrophenoxy)butanimidamide
PubChem CID55036254
Molecular FormulaC11H15N3O5
Molecular Weight269.26 g/mol
Exact Mass269.10
IUPAC NameN'-hydroxy-4-(2-methoxy-4-nitrophenoxy)butanimidamide
SMILESCOc1cc([N+](=O)[O-])ccc1OCCC/C(N)=N/O
InChIInChI=1S/C11H15N3O5/c1-18-10-7-8(14(16)17)4-5-9(10)19-6-2-3-11(12)13-15/h4-5,7,15H,2-3,6H2,1H3,(H2,12,13)
InChIKeyPBNRZSFLSVCBJA-UHFFFAOYSA-N
XLogP1.51
TPSA120.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}

Analyze N'-hydroxy-4-(2-methoxy-4-nitrophenoxy)butanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-hydroxy-5-(2-methyl-5-nitrophenoxy)pentanimidamide
CID 109374777
2-methoxy-4-nitro-1-propoxybenzene
CID 131858212
(NE)-N-[1-(2-methoxy-4-nitrophenoxy)propan-2-ylidene]hydroxylamine
CID 134096596
N'-hydroxy-4-(2-methoxy-5-nitrophenoxy)-2,2-dimethylbutanimidamide
CID 77062541
2-(2-methoxy-5-nitrophenoxy)ethanamine
CID 18980081
1-(2-chloroethoxy)-2-methoxy-4-nitrobenzene
CID 22326897
1,2-bis(2-methoxyethoxy)-4-nitrobenzene;carbamic acid
CID 175523332
N'-hydroxy-5-(4-methyl-2-nitrophenoxy)pentanimidamide
CID 109374785
N'-hydroxy-2-methoxy-5-nitrobenzenecarboximidamide
CID 76934973
2-(2-methoxy-5-nitrophenoxy)acetamide
CID 7931860
N-(2-methoxy-5-nitrophenyl)-4-(2-methoxyphenoxy)butanamide
CID 19181026
N-(2-methoxy-4-nitrophenyl)-4-(2-methoxyphenoxy)butanamide
CID 2954646

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-(2-methoxy-4-nitrophenoxy)butanimidamide?
The IUPAC name of N'-hydroxy-4-(2-methoxy-4-nitrophenoxy)butanimidamide (CID 55036254) is N'-hydroxy-4-(2-methoxy-4-nitrophenoxy)butanimidamide.
What is the SMILES notation for N'-hydroxy-4-(2-methoxy-4-nitrophenoxy)butanimidamide?
The canonical SMILES for N'-hydroxy-4-(2-methoxy-4-nitrophenoxy)butanimidamide is COc1cc([N+](=O)[O-])ccc1OCCC/C(N)=N/O.
What is the InChIKey of N'-hydroxy-4-(2-methoxy-4-nitrophenoxy)butanimidamide?
The InChIKey is PBNRZSFLSVCBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5/c1-18-10-7-8(14(16)17)4-5-9(10)19-6-2-3-11(12)13-15/h4-5,7,15H,2-3,6H2,1H3,(H2,12,13).
What are the key properties of N'-hydroxy-4-(2-methoxy-4-nitrophenoxy)butanimidamide?
N'-hydroxy-4-(2-methoxy-4-nitrophenoxy)butanimidamide has a molecular weight of 269.26 g/mol, XLogP of 1.51, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-(2-methoxy-4-nitrophenoxy)butanimidamide is sourced from PubChem (CID 55036254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).