N-[1-(hydroxyamino)-2-methyl-1-oxopropan-2-yl]-2,4,6-trimethylbenzamide

C14H20N2O3 — CID 122228652

IUPACN-[1-(hydroxyamino)-2-methyl-1-oxopropan-2-yl]-2,4,6-trimethylbenzamide
SMILESCc1cc(C)c(C(=O)NC(C)(C)C(=O)NO)c(C)c1
InChIInChI=1S/C14H20N2O3/c1-8-6-9(2)11(10(3)7-8)12(17)15-14(4,5)13(18)16-19/h6-7,19H,1-5H3,(H,15,17)(H,16,18)
InChIKeyNSTDKRXSBATSKU-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.63
Rot. Bonds3

About N-[1-(hydroxyamino)-2-methyl-1-oxopropan-2-yl]-2,4,6-trimethylbenzamide

N-[1-(hydroxyamino)-2-methyl-1-oxopropan-2-yl]-2,4,6-trimethylbenzamide (PubChem CID 122228652) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is N-[1-(hydroxyamino)-2-methyl-1-oxopropan-2-yl]-2,4,6-trimethylbenzamide.

Molecular Properties

Compound NameN-[1-(hydroxyamino)-2-methyl-1-oxopropan-2-yl]-2,4,6-trimethylbenzamide
PubChem CID122228652
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC NameN-[1-(hydroxyamino)-2-methyl-1-oxopropan-2-yl]-2,4,6-trimethylbenzamide
SMILESCc1cc(C)c(C(=O)NC(C)(C)C(=O)NO)c(C)c1
InChIInChI=1S/C14H20N2O3/c1-8-6-9(2)11(10(3)7-8)12(17)15-14(4,5)13(18)16-19/h6-7,19H,1-5H3,(H,15,17)(H,16,18)
InChIKeyNSTDKRXSBATSKU-UHFFFAOYSA-N
XLogP1.63
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[1-(hydroxyamino)-2-methyl-1-oxopropan-2-yl]-2,4,6-trimethylbenzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxyamino)-2-methyl-1-oxopropan-2-yl]-2,4,6-trimethylbenzamide?
The IUPAC name of N-[1-(hydroxyamino)-2-methyl-1-oxopropan-2-yl]-2,4,6-trimethylbenzamide (CID 122228652) is N-[1-(hydroxyamino)-2-methyl-1-oxopropan-2-yl]-2,4,6-trimethylbenzamide.
What is the SMILES notation for N-[1-(hydroxyamino)-2-methyl-1-oxopropan-2-yl]-2,4,6-trimethylbenzamide?
The canonical SMILES for N-[1-(hydroxyamino)-2-methyl-1-oxopropan-2-yl]-2,4,6-trimethylbenzamide is Cc1cc(C)c(C(=O)NC(C)(C)C(=O)NO)c(C)c1.
What is the InChIKey of N-[1-(hydroxyamino)-2-methyl-1-oxopropan-2-yl]-2,4,6-trimethylbenzamide?
The InChIKey is NSTDKRXSBATSKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-8-6-9(2)11(10(3)7-8)12(17)15-14(4,5)13(18)16-19/h6-7,19H,1-5H3,(H,15,17)(H,16,18).
What are the key properties of N-[1-(hydroxyamino)-2-methyl-1-oxopropan-2-yl]-2,4,6-trimethylbenzamide?
N-[1-(hydroxyamino)-2-methyl-1-oxopropan-2-yl]-2,4,6-trimethylbenzamide has a molecular weight of 264.32 g/mol, XLogP of 1.63, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxyamino)-2-methyl-1-oxopropan-2-yl]-2,4,6-trimethylbenzamide is sourced from PubChem (CID 122228652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).