N'-hydroxy-3-(3-hydroxybutylamino)-3-phenylpropanimidamide

C13H21N3O2 — CID 77050252

IUPACN'-hydroxy-3-(3-hydroxybutylamino)-3-phenylpropanimidamide
SMILESCC(O)CCNC(CC(N)=NO)c1ccccc1
InChIInChI=1S/C13H21N3O2/c1-10(17)7-8-15-12(9-13(14)16-18)11-5-3-2-4-6-11/h2-6,10,12,15,17-18H,7-9H2,1H3,(H2,14,16)
InChIKeyCAGSFGLYBZTOSE-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.22
Rot. Bonds7

About N'-hydroxy-3-(3-hydroxybutylamino)-3-phenylpropanimidamide

N'-hydroxy-3-(3-hydroxybutylamino)-3-phenylpropanimidamide (PubChem CID 77050252) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N'-hydroxy-3-(3-hydroxybutylamino)-3-phenylpropanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(3-hydroxybutylamino)-3-phenylpropanimidamide
PubChem CID77050252
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN'-hydroxy-3-(3-hydroxybutylamino)-3-phenylpropanimidamide
SMILESCC(O)CCNC(CC(N)=NO)c1ccccc1
InChIInChI=1S/C13H21N3O2/c1-10(17)7-8-15-12(9-13(14)16-18)11-5-3-2-4-6-11/h2-6,10,12,15,17-18H,7-9H2,1H3,(H2,14,16)
InChIKeyCAGSFGLYBZTOSE-UHFFFAOYSA-N
XLogP1.22
TPSA90.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.22
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'}

Analyze N'-hydroxy-3-(3-hydroxybutylamino)-3-phenylpropanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[[(3Z)-3-amino-3-hydroxyimino-1-phenylpropyl]amino]pentanamide
CID 106237568
N'-hydroxy-3-[(4-hydroxy-2-methylbutyl)amino]-3-phenylpropanimidamide
CID 77112882
N'-hydroxy-3-phenyl-3-(propan-2-ylamino)propanimidamide
CID 77026633
N'-hydroxy-3-(5-hydroxypentylamino)-3-phenylpropanimidamide
CID 107317928
N'-hydroxy-3-(pent-4-ynylamino)-3-phenylpropanimidamide
CID 106222316
N'-hydroxy-3-phenyl-3-(2-pyridin-2-ylethylamino)propanimidamide
CID 77025730
4-(1-phenylhexylamino)butan-2-ol
CID 64910713
2-[[(3Z)-3-amino-3-hydroxyimino-1-phenylpropyl]amino]-N-tert-butylacetamide
CID 115356452
N'-hydroxy-3-phenyl-3-(2,2,3,3-tetrafluoropropylamino)propanimidamide
CID 106293122
3-(1-cyclopropylethylamino)-N'-hydroxy-3-phenylpropanimidamide
CID 77029618
3-(4-bromoanilino)-N'-hydroxy-3-phenylpropanimidamide
CID 77026727
N'-hydroxy-3-(octan-4-ylamino)-3-phenylpropanimidamide
CID 106019347

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-(3-hydroxybutylamino)-3-phenylpropanimidamide?
The IUPAC name of N'-hydroxy-3-(3-hydroxybutylamino)-3-phenylpropanimidamide (CID 77050252) is N'-hydroxy-3-(3-hydroxybutylamino)-3-phenylpropanimidamide.
What is the SMILES notation for N'-hydroxy-3-(3-hydroxybutylamino)-3-phenylpropanimidamide?
The canonical SMILES for N'-hydroxy-3-(3-hydroxybutylamino)-3-phenylpropanimidamide is CC(O)CCNC(CC(N)=NO)c1ccccc1.
What is the InChIKey of N'-hydroxy-3-(3-hydroxybutylamino)-3-phenylpropanimidamide?
The InChIKey is CAGSFGLYBZTOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-10(17)7-8-15-12(9-13(14)16-18)11-5-3-2-4-6-11/h2-6,10,12,15,17-18H,7-9H2,1H3,(H2,14,16).
What are the key properties of N'-hydroxy-3-(3-hydroxybutylamino)-3-phenylpropanimidamide?
N'-hydroxy-3-(3-hydroxybutylamino)-3-phenylpropanimidamide has a molecular weight of 251.33 g/mol, XLogP of 1.22, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(3-hydroxybutylamino)-3-phenylpropanimidamide is sourced from PubChem (CID 77050252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).