N'-hydroxy-5-(4-methyl-2-nitrophenoxy)pentanimidamide

C12H17N3O4 — CID 109374785

IUPACN'-hydroxy-5-(4-methyl-2-nitrophenoxy)pentanimidamide
SMILESCc1ccc(OCCCC/C(N)=N/O)c([N+](=O)[O-])c1
InChIInChI=1S/C12H17N3O4/c1-9-5-6-11(10(8-9)15(17)18)19-7-3-2-4-12(13)14-16/h5-6,8,16H,2-4,7H2,1H3,(H2,13,14)
InChIKeySQTOAVRSAXGWLZ-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.20
Rot. Bonds7

About N'-hydroxy-5-(4-methyl-2-nitrophenoxy)pentanimidamide

N'-hydroxy-5-(4-methyl-2-nitrophenoxy)pentanimidamide (PubChem CID 109374785) has the molecular formula C12H17N3O4 and a molecular weight of 267.29 g/mol. Its IUPAC name is N'-hydroxy-5-(4-methyl-2-nitrophenoxy)pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-5-(4-methyl-2-nitrophenoxy)pentanimidamide
PubChem CID109374785
Molecular FormulaC12H17N3O4
Molecular Weight267.29 g/mol
Exact Mass267.12
IUPAC NameN'-hydroxy-5-(4-methyl-2-nitrophenoxy)pentanimidamide
SMILESCc1ccc(OCCCC/C(N)=N/O)c([N+](=O)[O-])c1
InChIInChI=1S/C12H17N3O4/c1-9-5-6-11(10(8-9)15(17)18)19-7-3-2-4-12(13)14-16/h5-6,8,16H,2-4,7H2,1H3,(H2,13,14)
InChIKeySQTOAVRSAXGWLZ-UHFFFAOYSA-N
XLogP2.20
TPSA110.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

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Related Compounds

5-(4-fluoro-2-nitrophenoxy)-N'-hydroxypentanimidamide
CID 55068583
5-(4-methyl-2-nitrophenoxy)pentanimidamide
CID 54965595
N'-hydroxy-5-(2-methyl-5-nitrophenoxy)pentanimidamide
CID 109374777
3-(4-ethyl-2-nitrophenoxy)-N'-hydroxypropanimidamide
CID 77022770
1-(4-bromobutoxy)-4-methyl-2-nitrobenzene
CID 61313190
4-methyl-2-nitro-1-octoxybenzene
CID 11708750
4-(2,4-dimethyl-6-nitrophenoxy)-N'-hydroxybutanimidamide
CID 55037393
2-(4-methyl-2-nitrophenoxy)acetamide
CID 8538614
2-(methylamino)-4-(4-methyl-2-nitrophenoxy)butanamide
CID 55144333
5-(5-methyl-2-nitrophenoxy)pentanimidamide
CID 54966230
N'-hydroxy-4-(2-methoxy-4-nitrophenoxy)butanimidamide
CID 55036254
trimethyl-[(4-methyl-2-nitrophenoxy)methyl]silane
CID 56529290

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-(4-methyl-2-nitrophenoxy)pentanimidamide?
The IUPAC name of N'-hydroxy-5-(4-methyl-2-nitrophenoxy)pentanimidamide (CID 109374785) is N'-hydroxy-5-(4-methyl-2-nitrophenoxy)pentanimidamide.
What is the SMILES notation for N'-hydroxy-5-(4-methyl-2-nitrophenoxy)pentanimidamide?
The canonical SMILES for N'-hydroxy-5-(4-methyl-2-nitrophenoxy)pentanimidamide is Cc1ccc(OCCCC/C(N)=N/O)c([N+](=O)[O-])c1.
What is the InChIKey of N'-hydroxy-5-(4-methyl-2-nitrophenoxy)pentanimidamide?
The InChIKey is SQTOAVRSAXGWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-9-5-6-11(10(8-9)15(17)18)19-7-3-2-4-12(13)14-16/h5-6,8,16H,2-4,7H2,1H3,(H2,13,14).
What are the key properties of N'-hydroxy-5-(4-methyl-2-nitrophenoxy)pentanimidamide?
N'-hydroxy-5-(4-methyl-2-nitrophenoxy)pentanimidamide has a molecular weight of 267.29 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-(4-methyl-2-nitrophenoxy)pentanimidamide is sourced from PubChem (CID 109374785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).