N'-hydroxy-5-[2-(3-methoxyphenyl)ethylamino]-2,2-dimethylpentanimidamide

C16H27N3O2 — CID 107853324

IUPACN'-hydroxy-5-[2-(3-methoxyphenyl)ethylamino]-2,2-dimethylpentanimidamide
SMILESCOc1cccc(CCNCCCC(C)(C)/C(N)=N/O)c1
InChIInChI=1S/C16H27N3O2/c1-16(2,15(17)19-20)9-5-10-18-11-8-13-6-4-7-14(12-13)21-3/h4,6-7,12,18,20H,5,8-11H2,1-3H3,(H2,17,19)
InChIKeyINHXTRBQIWSDDF-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.38
Rot. Bonds9

About N'-hydroxy-5-[2-(3-methoxyphenyl)ethylamino]-2,2-dimethylpentanimidamide

N'-hydroxy-5-[2-(3-methoxyphenyl)ethylamino]-2,2-dimethylpentanimidamide (PubChem CID 107853324) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is N'-hydroxy-5-[2-(3-methoxyphenyl)ethylamino]-2,2-dimethylpentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-5-[2-(3-methoxyphenyl)ethylamino]-2,2-dimethylpentanimidamide
PubChem CID107853324
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC NameN'-hydroxy-5-[2-(3-methoxyphenyl)ethylamino]-2,2-dimethylpentanimidamide
SMILESCOc1cccc(CCNCCCC(C)(C)/C(N)=N/O)c1
InChIInChI=1S/C16H27N3O2/c1-16(2,15(17)19-20)9-5-10-18-11-8-13-6-4-7-14(12-13)21-3/h4,6-7,12,18,20H,5,8-11H2,1-3H3,(H2,17,19)
InChIKeyINHXTRBQIWSDDF-UHFFFAOYSA-N
XLogP2.38
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.38
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-6-[(3-methoxyphenyl)methylamino]-2,2-dimethylhexanimidamide
CID 106711101
N'-hydroxy-5-(3-methoxyanilino)-2,2-dimethylpentanimidamide
CID 77063510
N'-hydroxy-2,2-dimethyl-4-(2-phenylethylamino)butanimidamide
CID 77062131
N'-[2-(3-methoxyphenyl)ethyl]-N-propylpropane-1,3-diamine
CID 113410220
3-chloro-N-[2-(3-methoxyphenyl)ethyl]propan-1-amine
CID 115215888
5-[(3-fluorophenyl)methylamino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77064047
5-(2-chloro-5-methoxyanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77064018
2-[2-(3-methoxyphenyl)ethylamino]guanidine
CID 95440152
4-methoxy-N-[2-(3-methoxyphenyl)ethyl]butan-1-amine
CID 114009157
6-[(3-chlorophenyl)methylamino]-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711118
4-(3-ethylphenoxy)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062790
N'-hydroxy-4-(4-methoxy-2-methylanilino)-2,2-dimethylbutanimidamide
CID 77062215

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-[2-(3-methoxyphenyl)ethylamino]-2,2-dimethylpentanimidamide?
The IUPAC name of N'-hydroxy-5-[2-(3-methoxyphenyl)ethylamino]-2,2-dimethylpentanimidamide (CID 107853324) is N'-hydroxy-5-[2-(3-methoxyphenyl)ethylamino]-2,2-dimethylpentanimidamide.
What is the SMILES notation for N'-hydroxy-5-[2-(3-methoxyphenyl)ethylamino]-2,2-dimethylpentanimidamide?
The canonical SMILES for N'-hydroxy-5-[2-(3-methoxyphenyl)ethylamino]-2,2-dimethylpentanimidamide is COc1cccc(CCNCCCC(C)(C)/C(N)=N/O)c1.
What is the InChIKey of N'-hydroxy-5-[2-(3-methoxyphenyl)ethylamino]-2,2-dimethylpentanimidamide?
The InChIKey is INHXTRBQIWSDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-16(2,15(17)19-20)9-5-10-18-11-8-13-6-4-7-14(12-13)21-3/h4,6-7,12,18,20H,5,8-11H2,1-3H3,(H2,17,19).
What are the key properties of N'-hydroxy-5-[2-(3-methoxyphenyl)ethylamino]-2,2-dimethylpentanimidamide?
N'-hydroxy-5-[2-(3-methoxyphenyl)ethylamino]-2,2-dimethylpentanimidamide has a molecular weight of 293.41 g/mol, XLogP of 2.38, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-[2-(3-methoxyphenyl)ethylamino]-2,2-dimethylpentanimidamide is sourced from PubChem (CID 107853324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).