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

C14H23N3O2 — CID 77112882

IUPACN'-hydroxy-3-[(4-hydroxy-2-methylbutyl)amino]-3-phenylpropanimidamide
SMILESCC(CCO)CNC(CC(N)=NO)c1ccccc1
InChIInChI=1S/C14H23N3O2/c1-11(7-8-18)10-16-13(9-14(15)17-19)12-5-3-2-4-6-12/h2-6,11,13,16,18-19H,7-10H2,1H3,(H2,15,17)
InChIKeyOHWLONGDMCMVMU-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.47
Rot. Bonds8

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

N'-hydroxy-3-[(4-hydroxy-2-methylbutyl)amino]-3-phenylpropanimidamide (PubChem CID 77112882) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N'-hydroxy-3-[(4-hydroxy-2-methylbutyl)amino]-3-phenylpropanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[(4-hydroxy-2-methylbutyl)amino]-3-phenylpropanimidamide
PubChem CID77112882
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC NameN'-hydroxy-3-[(4-hydroxy-2-methylbutyl)amino]-3-phenylpropanimidamide
SMILESCC(CCO)CNC(CC(N)=NO)c1ccccc1
InChIInChI=1S/C14H23N3O2/c1-11(7-8-18)10-16-13(9-14(15)17-19)12-5-3-2-4-6-12/h2-6,11,13,16,18-19H,7-10H2,1H3,(H2,15,17)
InChIKeyOHWLONGDMCMVMU-UHFFFAOYSA-N
XLogP1.47
TPSA90.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.47
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-(3-hydroxybutylamino)-3-phenylpropanimidamide
CID 77050252
N'-hydroxy-3-phenyl-3-(propan-2-ylamino)propanimidamide
CID 77026633
N'-hydroxy-3-(5-hydroxypentylamino)-3-phenylpropanimidamide
CID 107317928
N'-hydroxy-3-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-3-phenylpropanimidamide
CID 106350283
3-methyl-4-(1-phenylhexylamino)butan-1-ol
CID 66091324
N'-hydroxy-3-[(4-hydroxy-2-methylbutyl)amino]pentanimidamide
CID 77112816
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
5-[[(3Z)-3-amino-3-hydroxyimino-1-phenylpropyl]amino]pentanamide
CID 106237568
N'-hydroxy-3-(pent-4-ynylamino)-3-phenylpropanimidamide
CID 106222316
4-[[(4-hydroxy-2-methylbutyl)amino]-phenylmethyl]phenol
CID 66092508

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[(4-hydroxy-2-methylbutyl)amino]-3-phenylpropanimidamide?
The IUPAC name of N'-hydroxy-3-[(4-hydroxy-2-methylbutyl)amino]-3-phenylpropanimidamide (CID 77112882) is N'-hydroxy-3-[(4-hydroxy-2-methylbutyl)amino]-3-phenylpropanimidamide.
What is the SMILES notation for N'-hydroxy-3-[(4-hydroxy-2-methylbutyl)amino]-3-phenylpropanimidamide?
The canonical SMILES for N'-hydroxy-3-[(4-hydroxy-2-methylbutyl)amino]-3-phenylpropanimidamide is CC(CCO)CNC(CC(N)=NO)c1ccccc1.
What is the InChIKey of N'-hydroxy-3-[(4-hydroxy-2-methylbutyl)amino]-3-phenylpropanimidamide?
The InChIKey is OHWLONGDMCMVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-11(7-8-18)10-16-13(9-14(15)17-19)12-5-3-2-4-6-12/h2-6,11,13,16,18-19H,7-10H2,1H3,(H2,15,17).
What are the key properties of N'-hydroxy-3-[(4-hydroxy-2-methylbutyl)amino]-3-phenylpropanimidamide?
N'-hydroxy-3-[(4-hydroxy-2-methylbutyl)amino]-3-phenylpropanimidamide has a molecular weight of 265.36 g/mol, XLogP of 1.47, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[(4-hydroxy-2-methylbutyl)amino]-3-phenylpropanimidamide is sourced from PubChem (CID 77112882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).