N'-hydroxy-3-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-3-phenylpropanimidamide

C16H27N3O2 — CID 106350283

IUPACN'-hydroxy-3-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-3-phenylpropanimidamide
SMILESCC(C)(C)C(CCO)NC(C/C(N)=N/O)c1ccccc1
InChIInChI=1S/C16H27N3O2/c1-16(2,3)14(9-10-20)18-13(11-15(17)19-21)12-7-5-4-6-8-12/h4-8,13-14,18,20-21H,9-11H2,1-3H3,(H2,17,19)
InChIKeySFXARZLTCAIFSI-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.25
Rot. Bonds7

About N'-hydroxy-3-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-3-phenylpropanimidamide

N'-hydroxy-3-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-3-phenylpropanimidamide (PubChem CID 106350283) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is N'-hydroxy-3-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-3-phenylpropanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-3-phenylpropanimidamide
PubChem CID106350283
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC NameN'-hydroxy-3-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-3-phenylpropanimidamide
SMILESCC(C)(C)C(CCO)NC(C/C(N)=N/O)c1ccccc1
InChIInChI=1S/C16H27N3O2/c1-16(2,3)14(9-10-20)18-13(11-15(17)19-21)12-7-5-4-6-8-12/h4-8,13-14,18,20-21H,9-11H2,1-3H3,(H2,17,19)
InChIKeySFXARZLTCAIFSI-UHFFFAOYSA-N
XLogP2.25
TPSA90.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-3-phenyl-3-(propan-2-ylamino)propanimidamide
CID 77026633
N'-hydroxy-3-[(4-hydroxy-2-methylbutyl)amino]-3-phenylpropanimidamide
CID 77112882
N'-hydroxy-3-(octan-4-ylamino)-3-phenylpropanimidamide
CID 106019347
3-(1-cyclopropylethylamino)-N'-hydroxy-3-phenylpropanimidamide
CID 77029618
3-[1-(4-ethylphenyl)propylamino]-4,4-dimethylpentan-1-ol
CID 106348919
N'-hydroxy-3-(5-hydroxypentylamino)-3-phenylpropanimidamide
CID 107317928
N'-hydroxy-3-(3-hydroxybutylamino)-3-phenylpropanimidamide
CID 77050252
2-[[(3Z)-3-amino-3-hydroxyimino-1-phenylpropyl]amino]-N-tert-butylacetamide
CID 115356452
N'-hydroxy-3-phenyl-3-(1-pyridin-3-ylethylamino)propanimidamide
CID 77028172
3-[[(1S)-1-cyclohexylethyl]amino]-N'-hydroxy-3-phenylpropanimidamide
CID 81389056
3-[1-(3-chlorophenyl)propylamino]-4,4-dimethylpentan-1-ol
CID 104663679
3-(benzhydrylamino)-N'-hydroxybutanimidamide
CID 77028150

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-3-phenylpropanimidamide?
The IUPAC name of N'-hydroxy-3-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-3-phenylpropanimidamide (CID 106350283) is N'-hydroxy-3-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-3-phenylpropanimidamide.
What is the SMILES notation for N'-hydroxy-3-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-3-phenylpropanimidamide?
The canonical SMILES for N'-hydroxy-3-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-3-phenylpropanimidamide is CC(C)(C)C(CCO)NC(C/C(N)=N/O)c1ccccc1.
What is the InChIKey of N'-hydroxy-3-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-3-phenylpropanimidamide?
The InChIKey is SFXARZLTCAIFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-16(2,3)14(9-10-20)18-13(11-15(17)19-21)12-7-5-4-6-8-12/h4-8,13-14,18,20-21H,9-11H2,1-3H3,(H2,17,19).
What are the key properties of N'-hydroxy-3-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-3-phenylpropanimidamide?
N'-hydroxy-3-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-3-phenylpropanimidamide has a molecular weight of 293.41 g/mol, XLogP of 2.25, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-3-phenylpropanimidamide is sourced from PubChem (CID 106350283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).