N-[(1Z)-1-amino-1-hydroxyimino-2-methylpropan-2-yl]-4-hydroxy-2-methylbenzamide

C12H17N3O3 — CID 107672433

IUPACN-[(1Z)-1-amino-1-hydroxyimino-2-methylpropan-2-yl]-4-hydroxy-2-methylbenzamide
SMILESCc1cc(O)ccc1C(=O)NC(C)(C)/C(N)=N/O
InChIInChI=1S/C12H17N3O3/c1-7-6-8(16)4-5-9(7)10(17)14-12(2,3)11(13)15-18/h4-6,16,18H,1-3H3,(H2,13,15)(H,14,17)
InChIKeyCLPCMOYJKCVLST-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.96
Rot. Bonds3

About N-[(1Z)-1-amino-1-hydroxyimino-2-methylpropan-2-yl]-4-hydroxy-2-methylbenzamide

N-[(1Z)-1-amino-1-hydroxyimino-2-methylpropan-2-yl]-4-hydroxy-2-methylbenzamide (PubChem CID 107672433) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is N-[(1Z)-1-amino-1-hydroxyimino-2-methylpropan-2-yl]-4-hydroxy-2-methylbenzamide.

Molecular Properties

Compound NameN-[(1Z)-1-amino-1-hydroxyimino-2-methylpropan-2-yl]-4-hydroxy-2-methylbenzamide
PubChem CID107672433
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC NameN-[(1Z)-1-amino-1-hydroxyimino-2-methylpropan-2-yl]-4-hydroxy-2-methylbenzamide
SMILESCc1cc(O)ccc1C(=O)NC(C)(C)/C(N)=N/O
InChIInChI=1S/C12H17N3O3/c1-7-6-8(16)4-5-9(7)10(17)14-12(2,3)11(13)15-18/h4-6,16,18H,1-3H3,(H2,13,15)(H,14,17)
InChIKeyCLPCMOYJKCVLST-UHFFFAOYSA-N
XLogP0.96
TPSA107.94 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.96
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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Frequently Asked Questions

What is the IUPAC name of N-[(1Z)-1-amino-1-hydroxyimino-2-methylpropan-2-yl]-4-hydroxy-2-methylbenzamide?
The IUPAC name of N-[(1Z)-1-amino-1-hydroxyimino-2-methylpropan-2-yl]-4-hydroxy-2-methylbenzamide (CID 107672433) is N-[(1Z)-1-amino-1-hydroxyimino-2-methylpropan-2-yl]-4-hydroxy-2-methylbenzamide.
What is the SMILES notation for N-[(1Z)-1-amino-1-hydroxyimino-2-methylpropan-2-yl]-4-hydroxy-2-methylbenzamide?
The canonical SMILES for N-[(1Z)-1-amino-1-hydroxyimino-2-methylpropan-2-yl]-4-hydroxy-2-methylbenzamide is Cc1cc(O)ccc1C(=O)NC(C)(C)/C(N)=N/O.
What is the InChIKey of N-[(1Z)-1-amino-1-hydroxyimino-2-methylpropan-2-yl]-4-hydroxy-2-methylbenzamide?
The InChIKey is CLPCMOYJKCVLST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-7-6-8(16)4-5-9(7)10(17)14-12(2,3)11(13)15-18/h4-6,16,18H,1-3H3,(H2,13,15)(H,14,17).
What are the key properties of N-[(1Z)-1-amino-1-hydroxyimino-2-methylpropan-2-yl]-4-hydroxy-2-methylbenzamide?
N-[(1Z)-1-amino-1-hydroxyimino-2-methylpropan-2-yl]-4-hydroxy-2-methylbenzamide has a molecular weight of 251.29 g/mol, XLogP of 0.96, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z)-1-amino-1-hydroxyimino-2-methylpropan-2-yl]-4-hydroxy-2-methylbenzamide is sourced from PubChem (CID 107672433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).