N'-hydroxy-2,2-dimethyl-5-(3-propan-2-ylphenoxy)pentanimidamide

C16H26N2O2 — CID 77063290

IUPACN'-hydroxy-2,2-dimethyl-5-(3-propan-2-ylphenoxy)pentanimidamide
SMILESCC(C)c1cccc(OCCCC(C)(C)C(N)=NO)c1
InChIInChI=1S/C16H26N2O2/c1-12(2)13-7-5-8-14(11-13)20-10-6-9-16(3,4)15(17)18-19/h5,7-8,11-12,19H,6,9-10H2,1-4H3,(H2,17,18)
InChIKeyYGLSCIHREZYIRR-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.74
Rot. Bonds7

About N'-hydroxy-2,2-dimethyl-5-(3-propan-2-ylphenoxy)pentanimidamide

N'-hydroxy-2,2-dimethyl-5-(3-propan-2-ylphenoxy)pentanimidamide (PubChem CID 77063290) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N'-hydroxy-2,2-dimethyl-5-(3-propan-2-ylphenoxy)pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2,2-dimethyl-5-(3-propan-2-ylphenoxy)pentanimidamide
PubChem CID77063290
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN'-hydroxy-2,2-dimethyl-5-(3-propan-2-ylphenoxy)pentanimidamide
SMILESCC(C)c1cccc(OCCCC(C)(C)C(N)=NO)c1
InChIInChI=1S/C16H26N2O2/c1-12(2)13-7-5-8-14(11-13)20-10-6-9-16(3,4)15(17)18-19/h5,7-8,11-12,19H,6,9-10H2,1-4H3,(H2,17,18)
InChIKeyYGLSCIHREZYIRR-UHFFFAOYSA-N
XLogP3.74
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.74
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-(3-propan-2-ylphenoxy)pentanimidamide
CID 65258501
N'-hydroxy-2,2-dimethyl-5-naphthalen-2-yloxypentanimidamide
CID 77063288
2-amino-2-methyl-5-(3-propan-2-ylphenoxy)pentan-1-ol
CID 64802030
N'-hydroxy-2,2-dimethyl-4-(3-propan-2-ylanilino)butanimidamide
CID 77061838
5-(3,4-dimethylphenoxy)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063405
1-propan-2-yl-3-[3-(3-propan-2-ylphenoxy)propoxy]benzene
CID 2426201
N'-hydroxy-5-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]-2,2-dimethylpentanimidamide
CID 81353793
N'-hydroxy-5-(4-methoxyphenoxy)-2,2-dimethylpentanimidamide
CID 77063242
6-(4-bromo-3-fluorophenoxy)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711864
6-(3-propan-2-ylphenoxy)hexan-1-ol
CID 103867881
2-(3-propan-2-ylphenoxy)ethanamine;hydrochloride
CID 178200701
5-(2-ethoxyphenoxy)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063291

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2,2-dimethyl-5-(3-propan-2-ylphenoxy)pentanimidamide?
The IUPAC name of N'-hydroxy-2,2-dimethyl-5-(3-propan-2-ylphenoxy)pentanimidamide (CID 77063290) is N'-hydroxy-2,2-dimethyl-5-(3-propan-2-ylphenoxy)pentanimidamide.
What is the SMILES notation for N'-hydroxy-2,2-dimethyl-5-(3-propan-2-ylphenoxy)pentanimidamide?
The canonical SMILES for N'-hydroxy-2,2-dimethyl-5-(3-propan-2-ylphenoxy)pentanimidamide is CC(C)c1cccc(OCCCC(C)(C)C(N)=NO)c1.
What is the InChIKey of N'-hydroxy-2,2-dimethyl-5-(3-propan-2-ylphenoxy)pentanimidamide?
The InChIKey is YGLSCIHREZYIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-12(2)13-7-5-8-14(11-13)20-10-6-9-16(3,4)15(17)18-19/h5,7-8,11-12,19H,6,9-10H2,1-4H3,(H2,17,18).
What are the key properties of N'-hydroxy-2,2-dimethyl-5-(3-propan-2-ylphenoxy)pentanimidamide?
N'-hydroxy-2,2-dimethyl-5-(3-propan-2-ylphenoxy)pentanimidamide has a molecular weight of 278.40 g/mol, XLogP of 3.74, 7 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-(3-propan-2-ylphenoxy)pentanimidamide is sourced from PubChem (CID 77063290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).