N'-hydroxy-5-(2-methoxy-5-methylanilino)-2,2-dimethylpentanimidamide

C15H25N3O2 — CID 77063802

IUPACN'-hydroxy-5-(2-methoxy-5-methylanilino)-2,2-dimethylpentanimidamide
SMILESCOc1ccc(C)cc1NCCCC(C)(C)C(N)=NO
InChIInChI=1S/C15H25N3O2/c1-11-6-7-13(20-4)12(10-11)17-9-5-8-15(2,3)14(16)18-19/h6-7,10,17,19H,5,8-9H2,1-4H3,(H2,16,18)
InChIKeyZOVDTKAIBKQYSK-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.97
Rot. Bonds7

About N'-hydroxy-5-(2-methoxy-5-methylanilino)-2,2-dimethylpentanimidamide

N'-hydroxy-5-(2-methoxy-5-methylanilino)-2,2-dimethylpentanimidamide (PubChem CID 77063802) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is N'-hydroxy-5-(2-methoxy-5-methylanilino)-2,2-dimethylpentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-5-(2-methoxy-5-methylanilino)-2,2-dimethylpentanimidamide
PubChem CID77063802
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC NameN'-hydroxy-5-(2-methoxy-5-methylanilino)-2,2-dimethylpentanimidamide
SMILESCOc1ccc(C)cc1NCCCC(C)(C)C(N)=NO
InChIInChI=1S/C15H25N3O2/c1-11-6-7-13(20-4)12(10-11)17-9-5-8-15(2,3)14(16)18-19/h6-7,10,17,19H,5,8-9H2,1-4H3,(H2,16,18)
InChIKeyZOVDTKAIBKQYSK-UHFFFAOYSA-N
XLogP2.97
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(5-chloro-2-methoxyanilino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77061908
5-(2-chloro-4-methylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77064045
5-(3-chloro-4-methoxyanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063921
6-(2-bromo-5-methylanilino)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711517
5-(2-chloro-5-methoxyanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77064018
N'-hydroxy-4-(4-methoxy-2-methylanilino)-2,2-dimethylbutanimidamide
CID 77062215
5-(3,4-dimethylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063963
N'-hydroxy-5-(3-methoxyanilino)-2,2-dimethylpentanimidamide
CID 77063510
4-(2-bromo-5-methoxyanilino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77069992
5-(4-chloro-2-iodoanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 107635920
4-(2-chloro-5-methoxyanilino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062149
5-(2,4-difluoroanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063764

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-(2-methoxy-5-methylanilino)-2,2-dimethylpentanimidamide?
The IUPAC name of N'-hydroxy-5-(2-methoxy-5-methylanilino)-2,2-dimethylpentanimidamide (CID 77063802) is N'-hydroxy-5-(2-methoxy-5-methylanilino)-2,2-dimethylpentanimidamide.
What is the SMILES notation for N'-hydroxy-5-(2-methoxy-5-methylanilino)-2,2-dimethylpentanimidamide?
The canonical SMILES for N'-hydroxy-5-(2-methoxy-5-methylanilino)-2,2-dimethylpentanimidamide is COc1ccc(C)cc1NCCCC(C)(C)C(N)=NO.
What is the InChIKey of N'-hydroxy-5-(2-methoxy-5-methylanilino)-2,2-dimethylpentanimidamide?
The InChIKey is ZOVDTKAIBKQYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-11-6-7-13(20-4)12(10-11)17-9-5-8-15(2,3)14(16)18-19/h6-7,10,17,19H,5,8-9H2,1-4H3,(H2,16,18).
What are the key properties of N'-hydroxy-5-(2-methoxy-5-methylanilino)-2,2-dimethylpentanimidamide?
N'-hydroxy-5-(2-methoxy-5-methylanilino)-2,2-dimethylpentanimidamide has a molecular weight of 279.38 g/mol, XLogP of 2.97, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-(2-methoxy-5-methylanilino)-2,2-dimethylpentanimidamide is sourced from PubChem (CID 77063802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).