N'-hydroxy-2,2-dimethyl-5-(5-methyl-2-nitrophenoxy)pentanimidamide

C14H21N3O4 — CID 77063452

IUPACN'-hydroxy-2,2-dimethyl-5-(5-methyl-2-nitrophenoxy)pentanimidamide
SMILESCc1ccc([N+](=O)[O-])c(OCCCC(C)(C)C(N)=NO)c1
InChIInChI=1S/C14H21N3O4/c1-10-5-6-11(17(19)20)12(9-10)21-8-4-7-14(2,3)13(15)16-18/h5-6,9,18H,4,7-8H2,1-3H3,(H2,15,16)
InChIKeyMTDGSTXTNXOUJN-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.83
Rot. Bonds7

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

N'-hydroxy-2,2-dimethyl-5-(5-methyl-2-nitrophenoxy)pentanimidamide (PubChem CID 77063452) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is N'-hydroxy-2,2-dimethyl-5-(5-methyl-2-nitrophenoxy)pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2,2-dimethyl-5-(5-methyl-2-nitrophenoxy)pentanimidamide
PubChem CID77063452
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC NameN'-hydroxy-2,2-dimethyl-5-(5-methyl-2-nitrophenoxy)pentanimidamide
SMILESCc1ccc([N+](=O)[O-])c(OCCCC(C)(C)C(N)=NO)c1
InChIInChI=1S/C14H21N3O4/c1-10-5-6-11(17(19)20)12(9-10)21-8-4-7-14(2,3)13(15)16-18/h5-6,9,18H,4,7-8H2,1-3H3,(H2,15,16)
InChIKeyMTDGSTXTNXOUJN-UHFFFAOYSA-N
XLogP2.83
TPSA110.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.83
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

2,2-dimethyl-5-(5-methyl-2-nitrophenoxy)pentanimidamide
CID 65258216
4-(2,5-dimethyl-4-nitrophenoxy)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062337
5-(5-methyl-2-nitrophenoxy)pentanimidamide
CID 54966230
2-(5-methyl-2-nitrophenoxy)ethyl acetate
CID 10082949
tert-butyl carbamate;3-(5-methyl-2-nitrophenoxy)propanoic acid
CID 144684493
N'-hydroxy-4-(2-methoxy-5-nitrophenoxy)-2,2-dimethylbutanimidamide
CID 77062541
N'-hydroxy-5-(4-methyl-2-nitrophenoxy)pentanimidamide
CID 109374785
5-(4-bromo-2-methylphenoxy)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063274
4-methyl-2-(3-methylbutoxy)-1-nitrobenzene
CID 66999028
methyl 2-(methylamino)-4-(5-methyl-2-nitrophenoxy)butanoate
CID 63040907
5-(2-ethoxyphenoxy)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063291
ethyl 2-amino-4-(5-methyl-2-nitrophenoxy)butanoate
CID 63041279

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2,2-dimethyl-5-(5-methyl-2-nitrophenoxy)pentanimidamide?
The IUPAC name of N'-hydroxy-2,2-dimethyl-5-(5-methyl-2-nitrophenoxy)pentanimidamide (CID 77063452) is N'-hydroxy-2,2-dimethyl-5-(5-methyl-2-nitrophenoxy)pentanimidamide.
What is the SMILES notation for N'-hydroxy-2,2-dimethyl-5-(5-methyl-2-nitrophenoxy)pentanimidamide?
The canonical SMILES for N'-hydroxy-2,2-dimethyl-5-(5-methyl-2-nitrophenoxy)pentanimidamide is Cc1ccc([N+](=O)[O-])c(OCCCC(C)(C)C(N)=NO)c1.
What is the InChIKey of N'-hydroxy-2,2-dimethyl-5-(5-methyl-2-nitrophenoxy)pentanimidamide?
The InChIKey is MTDGSTXTNXOUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-10-5-6-11(17(19)20)12(9-10)21-8-4-7-14(2,3)13(15)16-18/h5-6,9,18H,4,7-8H2,1-3H3,(H2,15,16).
What are the key properties of N'-hydroxy-2,2-dimethyl-5-(5-methyl-2-nitrophenoxy)pentanimidamide?
N'-hydroxy-2,2-dimethyl-5-(5-methyl-2-nitrophenoxy)pentanimidamide has a molecular weight of 295.34 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2,2-dimethyl-5-(5-methyl-2-nitrophenoxy)pentanimidamide is sourced from PubChem (CID 77063452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).