N'-hydroxy-3-[(2-hydroxy-4-methylpentyl)amino]-2-phenylpropanimidamide

C15H25N3O2 — CID 107153079

IUPACN'-hydroxy-3-[(2-hydroxy-4-methylpentyl)amino]-2-phenylpropanimidamide
SMILESCC(C)CC(O)CNCC(/C(N)=N/O)c1ccccc1
InChIInChI=1S/C15H25N3O2/c1-11(2)8-13(19)9-17-10-14(15(16)18-20)12-6-4-3-5-7-12/h3-7,11,13-14,17,19-20H,8-10H2,1-2H3,(H2,16,18)
InChIKeyAKBFFJBVGIEPDW-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.51
Rot. Bonds8

About N'-hydroxy-3-[(2-hydroxy-4-methylpentyl)amino]-2-phenylpropanimidamide

N'-hydroxy-3-[(2-hydroxy-4-methylpentyl)amino]-2-phenylpropanimidamide (PubChem CID 107153079) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is N'-hydroxy-3-[(2-hydroxy-4-methylpentyl)amino]-2-phenylpropanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[(2-hydroxy-4-methylpentyl)amino]-2-phenylpropanimidamide
PubChem CID107153079
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC NameN'-hydroxy-3-[(2-hydroxy-4-methylpentyl)amino]-2-phenylpropanimidamide
SMILESCC(C)CC(O)CNCC(/C(N)=N/O)c1ccccc1
InChIInChI=1S/C15H25N3O2/c1-11(2)8-13(19)9-17-10-14(15(16)18-20)12-6-4-3-5-7-12/h3-7,11,13-14,17,19-20H,8-10H2,1-2H3,(H2,16,18)
InChIKeyAKBFFJBVGIEPDW-UHFFFAOYSA-N
XLogP1.51
TPSA90.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.51
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-2-phenyl-3-(1-phenylethylamino)propanimidamide
CID 77043722
3-(but-2-ynylamino)-N'-hydroxy-2-phenylpropanimidamide
CID 113464676
3-(butan-2-ylamino)-N'-hydroxy-2-phenylpropanimidamide
CID 77043803
N'-hydroxy-2-phenyl-3-(prop-2-enylamino)propanimidamide
CID 77043643
2-[[(3Z)-3-amino-3-hydroxyimino-2-phenylpropyl]amino]ethylurea
CID 83121817
N'-hydroxy-2-phenyl-3-(3,3,3-trifluoropropylamino)propanimidamide
CID 77043819
3-(cyclohexylmethylamino)-N'-hydroxy-2-phenylpropanimidamide
CID 77043811
3-[(2-chlorophenyl)methylamino]-N'-hydroxy-2-phenylpropanimidamide
CID 77044130
3-[(4-bromophenyl)methylamino]-N'-hydroxy-2-phenylpropanimidamide
CID 77043527
N'-hydroxy-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]-2-phenylpropanimidamide
CID 77043906
N'-hydroxy-3-[(3-methylphenyl)methylamino]-2-phenylpropanimidamide
CID 77044102
3-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-N'-hydroxy-2-phenylpropanimidamide
CID 77043954

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[(2-hydroxy-4-methylpentyl)amino]-2-phenylpropanimidamide?
The IUPAC name of N'-hydroxy-3-[(2-hydroxy-4-methylpentyl)amino]-2-phenylpropanimidamide (CID 107153079) is N'-hydroxy-3-[(2-hydroxy-4-methylpentyl)amino]-2-phenylpropanimidamide.
What is the SMILES notation for N'-hydroxy-3-[(2-hydroxy-4-methylpentyl)amino]-2-phenylpropanimidamide?
The canonical SMILES for N'-hydroxy-3-[(2-hydroxy-4-methylpentyl)amino]-2-phenylpropanimidamide is CC(C)CC(O)CNCC(/C(N)=N/O)c1ccccc1.
What is the InChIKey of N'-hydroxy-3-[(2-hydroxy-4-methylpentyl)amino]-2-phenylpropanimidamide?
The InChIKey is AKBFFJBVGIEPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-11(2)8-13(19)9-17-10-14(15(16)18-20)12-6-4-3-5-7-12/h3-7,11,13-14,17,19-20H,8-10H2,1-2H3,(H2,16,18).
What are the key properties of N'-hydroxy-3-[(2-hydroxy-4-methylpentyl)amino]-2-phenylpropanimidamide?
N'-hydroxy-3-[(2-hydroxy-4-methylpentyl)amino]-2-phenylpropanimidamide has a molecular weight of 279.38 g/mol, XLogP of 1.51, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[(2-hydroxy-4-methylpentyl)amino]-2-phenylpropanimidamide is sourced from PubChem (CID 107153079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).