(2R)-N'-hydroxy-2-[4-(2-methylpropyl)phenyl]propanimidamide

C13H20N2O — CID 173066411

IUPAC(2R)-N'-hydroxy-2-[4-(2-methylpropyl)phenyl]propanimidamide
SMILESCC(C)Cc1ccc([C@@H](C)C(N)=NO)cc1
InChIInChI=1S/C13H20N2O/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15-16/h4-7,9-10,16H,8H2,1-3H3,(H2,14,15)/t10-/m1/s1
InChIKeyGPHQCZSAEHQGBB-SNVBAGLBSA-N
MW220.32 g/mol
LogP2.73
Rot. Bonds4

About (2R)-N'-hydroxy-2-[4-(2-methylpropyl)phenyl]propanimidamide

(2R)-N'-hydroxy-2-[4-(2-methylpropyl)phenyl]propanimidamide (PubChem CID 173066411) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is (2R)-N'-hydroxy-2-[4-(2-methylpropyl)phenyl]propanimidamide.

Molecular Properties

Compound Name(2R)-N'-hydroxy-2-[4-(2-methylpropyl)phenyl]propanimidamide
PubChem CID173066411
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name(2R)-N'-hydroxy-2-[4-(2-methylpropyl)phenyl]propanimidamide
SMILESCC(C)Cc1ccc([C@@H](C)C(N)=NO)cc1
InChIInChI=1S/C13H20N2O/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15-16/h4-7,9-10,16H,8H2,1-3H3,(H2,14,15)/t10-/m1/s1
InChIKeyGPHQCZSAEHQGBB-SNVBAGLBSA-N
XLogP2.73
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

(2S)-N'-hydroxy-2-[4-(2-methylpropyl)phenyl]propanimidamide
CID 173066412
(2S)-N'-methyl-2-[4-(2-methylpropyl)phenyl]propanimidamide;hydrochloride
CID 67369642
[(2R)-1-amino-2-[4-(2-methylpropyl)phenyl]propylidene]azanium
CID 6340999
(2S)-2-[4-(2-methylpropyl)phenyl]-N'-(2-phenylethyl)propanimidamide
CID 6984096
N'-hydroxy-4-(2-methylpropyl)benzenecarboximidamide
CID 96670524
(2S)-2-[4-(2-methylpropyl)phenyl]propanimidamide
CID 6954288
(2S)-N'-hydroxy-2-methyl-3-(4-methylphenyl)propanimidamide
CID 172940678
(2R)-N'-[3-(diethylamino)propyl]-2-[4-(2-methylpropyl)phenyl]propanimidamide
CID 92833235
[(2S)-2-[4-(2-methylpropyl)phenyl]propanoyl]oxymethyl (2S)-2-[4-(2-methylpropyl)phenyl]propanoate
CID 118682684
ethane;3-[4-(2-methylpropyl)phenyl]butan-2-one
CID 144564568
CID 175760114
CID 175760114
Ibuprofen (sodium)
CID 45052535

Frequently Asked Questions

What is the IUPAC name of (2R)-N'-hydroxy-2-[4-(2-methylpropyl)phenyl]propanimidamide?
The IUPAC name of (2R)-N'-hydroxy-2-[4-(2-methylpropyl)phenyl]propanimidamide (CID 173066411) is (2R)-N'-hydroxy-2-[4-(2-methylpropyl)phenyl]propanimidamide.
What is the SMILES notation for (2R)-N'-hydroxy-2-[4-(2-methylpropyl)phenyl]propanimidamide?
The canonical SMILES for (2R)-N'-hydroxy-2-[4-(2-methylpropyl)phenyl]propanimidamide is CC(C)Cc1ccc([C@@H](C)C(N)=NO)cc1.
What is the InChIKey of (2R)-N'-hydroxy-2-[4-(2-methylpropyl)phenyl]propanimidamide?
The InChIKey is GPHQCZSAEHQGBB-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H20N2O/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15-16/h4-7,9-10,16H,8H2,1-3H3,(H2,14,15)/t10-/m1/s1.
What are the key properties of (2R)-N'-hydroxy-2-[4-(2-methylpropyl)phenyl]propanimidamide?
(2R)-N'-hydroxy-2-[4-(2-methylpropyl)phenyl]propanimidamide has a molecular weight of 220.32 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N'-hydroxy-2-[4-(2-methylpropyl)phenyl]propanimidamide is sourced from PubChem (CID 173066411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).