(2S)-N'-hydroxy-2-methyl-3-(4-methylphenyl)propanimidamide

C11H16N2O — CID 172940678

IUPAC(2S)-N'-hydroxy-2-methyl-3-(4-methylphenyl)propanimidamide
SMILESCc1ccc(C[C@H](C)/C(N)=N/O)cc1
InChIInChI=1S/C11H16N2O/c1-8-3-5-10(6-4-8)7-9(2)11(12)13-14/h3-6,9,14H,7H2,1-2H3,(H2,12,13)/t9-/m0/s1
InChIKeyZQWDWWDSQXGITI-VIFPVBQESA-N
MW192.26 g/mol
LogP1.92
Rot. Bonds3

About (2S)-N'-hydroxy-2-methyl-3-(4-methylphenyl)propanimidamide

(2S)-N'-hydroxy-2-methyl-3-(4-methylphenyl)propanimidamide (PubChem CID 172940678) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is (2S)-N'-hydroxy-2-methyl-3-(4-methylphenyl)propanimidamide.

Molecular Properties

Compound Name(2S)-N'-hydroxy-2-methyl-3-(4-methylphenyl)propanimidamide
PubChem CID172940678
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name(2S)-N'-hydroxy-2-methyl-3-(4-methylphenyl)propanimidamide
SMILESCc1ccc(C[C@H](C)/C(N)=N/O)cc1
InChIInChI=1S/C11H16N2O/c1-8-3-5-10(6-4-8)7-9(2)11(12)13-14/h3-6,9,14H,7H2,1-2H3,(H2,12,13)/t9-/m0/s1
InChIKeyZQWDWWDSQXGITI-VIFPVBQESA-N
XLogP1.92
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.92
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
(2R)-N'-hydroxy-2-[4-(2-methylpropyl)phenyl]propanimidamide
CID 173066411
ethane;methyl 2-methyl-3-(4-methylphenyl)propanoate
CID 143972030
2-(methylamino)-3-(4-methylphenyl)propanamide
CID 59568547
N'-hydroxy-2-methyl-3-[(4-methylphenyl)sulfonylamino]propanimidamide
CID 76953347
1-(2,3-dimethylbut-3-enyl)-4-methylbenzene;ethane;1-ethyl-4-methylbenzene;2-methylprop-1-ene
CID 177337265
4-methyl-3-[(4-methylphenyl)methyl]pent-1-en-2-amine
CID 167120568
N'-hydroxy-2-methyl-3-[1-(4-methylphenoxy)propan-2-ylamino]propanimidamide
CID 77031375
(2R)-2-methyl-3-(4-methylphenyl)propan-1-ol
CID 59708463
3-methyl-4-(4-methylphenyl)butan-2-amine
CID 60996372
(2S)-2-amino-3-(4-methylphenyl)propan-1-ol
CID 28804561
2-amino-3-(4-methylphenyl)propanamide
CID 18981163

Frequently Asked Questions

What is the IUPAC name of (2S)-N'-hydroxy-2-methyl-3-(4-methylphenyl)propanimidamide?
The IUPAC name of (2S)-N'-hydroxy-2-methyl-3-(4-methylphenyl)propanimidamide (CID 172940678) is (2S)-N'-hydroxy-2-methyl-3-(4-methylphenyl)propanimidamide.
What is the SMILES notation for (2S)-N'-hydroxy-2-methyl-3-(4-methylphenyl)propanimidamide?
The canonical SMILES for (2S)-N'-hydroxy-2-methyl-3-(4-methylphenyl)propanimidamide is Cc1ccc(C[C@H](C)/C(N)=N/O)cc1.
What is the InChIKey of (2S)-N'-hydroxy-2-methyl-3-(4-methylphenyl)propanimidamide?
The InChIKey is ZQWDWWDSQXGITI-VIFPVBQESA-N. The full InChI is InChI=1S/C11H16N2O/c1-8-3-5-10(6-4-8)7-9(2)11(12)13-14/h3-6,9,14H,7H2,1-2H3,(H2,12,13)/t9-/m0/s1.
What are the key properties of (2S)-N'-hydroxy-2-methyl-3-(4-methylphenyl)propanimidamide?
(2S)-N'-hydroxy-2-methyl-3-(4-methylphenyl)propanimidamide has a molecular weight of 192.26 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N'-hydroxy-2-methyl-3-(4-methylphenyl)propanimidamide is sourced from PubChem (CID 172940678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).