N'-hydroxy-5-(3-methoxyanilino)-2,2-dimethylpentanimidamide

C14H23N3O2 — CID 77063510

IUPACN'-hydroxy-5-(3-methoxyanilino)-2,2-dimethylpentanimidamide
SMILESCOc1cccc(NCCCC(C)(C)C(N)=NO)c1
InChIInChI=1S/C14H23N3O2/c1-14(2,13(15)17-18)8-5-9-16-11-6-4-7-12(10-11)19-3/h4,6-7,10,16,18H,5,8-9H2,1-3H3,(H2,15,17)
InChIKeyVYUAIDUXTXQPOT-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.66
Rot. Bonds7

About N'-hydroxy-5-(3-methoxyanilino)-2,2-dimethylpentanimidamide

N'-hydroxy-5-(3-methoxyanilino)-2,2-dimethylpentanimidamide (PubChem CID 77063510) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N'-hydroxy-5-(3-methoxyanilino)-2,2-dimethylpentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-5-(3-methoxyanilino)-2,2-dimethylpentanimidamide
PubChem CID77063510
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC NameN'-hydroxy-5-(3-methoxyanilino)-2,2-dimethylpentanimidamide
SMILESCOc1cccc(NCCCC(C)(C)C(N)=NO)c1
InChIInChI=1S/C14H23N3O2/c1-14(2,13(15)17-18)8-5-9-16-11-6-4-7-12(10-11)19-3/h4,6-7,10,16,18H,5,8-9H2,1-3H3,(H2,15,17)
InChIKeyVYUAIDUXTXQPOT-UHFFFAOYSA-N
XLogP2.66
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.66
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

N'-hydroxy-5-[2-(3-methoxyphenyl)ethylamino]-2,2-dimethylpentanimidamide
CID 107853324
N'-hydroxy-5-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]-2,2-dimethylpentanimidamide
CID 81353793
5-(3-ethylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063928
N'-hydroxy-6-[(3-methoxyphenyl)methylamino]-2,2-dimethylhexanimidamide
CID 106711101
5-(2-chloro-5-methoxyanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77064018
5-(3-chloro-4-methoxyanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063921
N'-hydroxy-4-(4-methoxy-2-methylanilino)-2,2-dimethylbutanimidamide
CID 77062215
N'-hydroxy-2,2-dimethyl-4-(3-propan-2-ylanilino)butanimidamide
CID 77061838
5-(3-bromo-4-fluoroanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 104779738
5-(4-fluoro-3-methylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063562
N'-hydroxy-5-(2-methoxy-5-methylanilino)-2,2-dimethylpentanimidamide
CID 77063802
4-(2-chloro-5-methoxyanilino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062149

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-(3-methoxyanilino)-2,2-dimethylpentanimidamide?
The IUPAC name of N'-hydroxy-5-(3-methoxyanilino)-2,2-dimethylpentanimidamide (CID 77063510) is N'-hydroxy-5-(3-methoxyanilino)-2,2-dimethylpentanimidamide.
What is the SMILES notation for N'-hydroxy-5-(3-methoxyanilino)-2,2-dimethylpentanimidamide?
The canonical SMILES for N'-hydroxy-5-(3-methoxyanilino)-2,2-dimethylpentanimidamide is COc1cccc(NCCCC(C)(C)C(N)=NO)c1.
What is the InChIKey of N'-hydroxy-5-(3-methoxyanilino)-2,2-dimethylpentanimidamide?
The InChIKey is VYUAIDUXTXQPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-14(2,13(15)17-18)8-5-9-16-11-6-4-7-12(10-11)19-3/h4,6-7,10,16,18H,5,8-9H2,1-3H3,(H2,15,17).
What are the key properties of N'-hydroxy-5-(3-methoxyanilino)-2,2-dimethylpentanimidamide?
N'-hydroxy-5-(3-methoxyanilino)-2,2-dimethylpentanimidamide has a molecular weight of 265.36 g/mol, XLogP of 2.66, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-(3-methoxyanilino)-2,2-dimethylpentanimidamide is sourced from PubChem (CID 77063510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).