N'-hydroxy-2,2-dimethyl-5-naphthalen-2-yloxypentanimidamide

C17H22N2O2 — CID 77063288

IUPACN'-hydroxy-2,2-dimethyl-5-naphthalen-2-yloxypentanimidamide
SMILESCC(C)(CCCOc1ccc2ccccc2c1)C(N)=NO
InChIInChI=1S/C17H22N2O2/c1-17(2,16(18)19-20)10-5-11-21-15-9-8-13-6-3-4-7-14(13)12-15/h3-4,6-9,12,20H,5,10-11H2,1-2H3,(H2,18,19)
InChIKeyFGFMGCDSZYUZJL-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.77
Rot. Bonds6

About N'-hydroxy-2,2-dimethyl-5-naphthalen-2-yloxypentanimidamide

N'-hydroxy-2,2-dimethyl-5-naphthalen-2-yloxypentanimidamide (PubChem CID 77063288) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N'-hydroxy-2,2-dimethyl-5-naphthalen-2-yloxypentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2,2-dimethyl-5-naphthalen-2-yloxypentanimidamide
PubChem CID77063288
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC NameN'-hydroxy-2,2-dimethyl-5-naphthalen-2-yloxypentanimidamide
SMILESCC(C)(CCCOc1ccc2ccccc2c1)C(N)=NO
InChIInChI=1S/C17H22N2O2/c1-17(2,16(18)19-20)10-5-11-21-15-9-8-13-6-3-4-7-14(13)12-15/h3-4,6-9,12,20H,5,10-11H2,1-2H3,(H2,18,19)
InChIKeyFGFMGCDSZYUZJL-UHFFFAOYSA-N
XLogP3.77
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2,2-dimethyl-5-naphthalen-2-yloxypentanethioamide
CID 65259756
N'-hydroxy-5-(4-methoxyphenoxy)-2,2-dimethylpentanimidamide
CID 77063242
5-(3,4-dimethylphenoxy)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063405
N'-hydroxy-2,2-dimethyl-5-(3-propan-2-ylphenoxy)pentanimidamide
CID 77063290
N'-hydroxy-2,2-dimethyl-5-naphthalen-2-ylsulfanylpentanimidamide
CID 77063369
6-(4-bromo-3-fluorophenoxy)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711864
5-(2-ethoxyphenoxy)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063291
2-methyl-4-naphthalen-2-yloxybutan-2-amine
CID 10561404
4-(3-ethylphenoxy)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062790
4-(4-bromophenoxy)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062663
N'-hydroxy-2,2-dimethyl-5-phenylsulfanylpentanimidamide
CID 77063342
2,2-dimethyl-4-naphthalen-2-yloxybutanoic acid
CID 65248421

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2,2-dimethyl-5-naphthalen-2-yloxypentanimidamide?
The IUPAC name of N'-hydroxy-2,2-dimethyl-5-naphthalen-2-yloxypentanimidamide (CID 77063288) is N'-hydroxy-2,2-dimethyl-5-naphthalen-2-yloxypentanimidamide.
What is the SMILES notation for N'-hydroxy-2,2-dimethyl-5-naphthalen-2-yloxypentanimidamide?
The canonical SMILES for N'-hydroxy-2,2-dimethyl-5-naphthalen-2-yloxypentanimidamide is CC(C)(CCCOc1ccc2ccccc2c1)C(N)=NO.
What is the InChIKey of N'-hydroxy-2,2-dimethyl-5-naphthalen-2-yloxypentanimidamide?
The InChIKey is FGFMGCDSZYUZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-17(2,16(18)19-20)10-5-11-21-15-9-8-13-6-3-4-7-14(13)12-15/h3-4,6-9,12,20H,5,10-11H2,1-2H3,(H2,18,19).
What are the key properties of N'-hydroxy-2,2-dimethyl-5-naphthalen-2-yloxypentanimidamide?
N'-hydroxy-2,2-dimethyl-5-naphthalen-2-yloxypentanimidamide has a molecular weight of 286.38 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2,2-dimethyl-5-naphthalen-2-yloxypentanimidamide is sourced from PubChem (CID 77063288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).