N-hydroxy-3-methyl-2-[(propanoylamino)oxymethyl]benzamide

C12H16N2O4 — CID 130318288

IUPACN-hydroxy-3-methyl-2-[(propanoylamino)oxymethyl]benzamide
SMILESCCC(=O)NOCc1c(C)cccc1C(=O)NO
InChIInChI=1S/C12H16N2O4/c1-3-11(15)14-18-7-10-8(2)5-4-6-9(10)12(16)13-17/h4-6,17H,3,7H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyQSSVWXXDWBLHOP-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.07
Rot. Bonds5

About N-hydroxy-3-methyl-2-[(propanoylamino)oxymethyl]benzamide

N-hydroxy-3-methyl-2-[(propanoylamino)oxymethyl]benzamide (PubChem CID 130318288) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is N-hydroxy-3-methyl-2-[(propanoylamino)oxymethyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-3-methyl-2-[(propanoylamino)oxymethyl]benzamide
PubChem CID130318288
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC NameN-hydroxy-3-methyl-2-[(propanoylamino)oxymethyl]benzamide
SMILESCCC(=O)NOCc1c(C)cccc1C(=O)NO
InChIInChI=1S/C12H16N2O4/c1-3-11(15)14-18-7-10-8(2)5-4-6-9(10)12(16)13-17/h4-6,17H,3,7H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyQSSVWXXDWBLHOP-UHFFFAOYSA-N
XLogP1.07
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 118244206
N-[(2-amino-6-fluorophenyl)methoxy]propanamide
CID 90192871
N-[[2-[[diazenyl(methyl)carbamoyl]amino]-6-methylphenyl]methoxy]propanamide
CID 90192878
2-methyl-N-[2-oxo-2-(phenylmethoxyamino)ethyl]benzamide
CID 51220307
N-[[2-amino-6-(difluoromethyl)phenyl]methoxy]propanamide
CID 130318592
N-[(2-ethyl-6-isocyanatophenyl)methoxy]propanamide
CID 90192947
N-chloro-2-[(4-hydroxy-2-methylphenoxy)methyl]-3-methylbenzamide
CID 129110227
2-bromo-N-(2-hydroxyethoxy)-3-methylbenzamide
CID 166001059
ethyl 2-(2-methyl-6-propanoylphenyl)acetate
CID 134614867
2-(2-methylphenyl)-N-phenylmethoxyacetamide
CID 32578031
bis(2-ethyl-3-methylphenyl)methanone
CID 141055739
N-[[2-chloro-6-(5-oxo-1H-tetrazol-4-yl)phenyl]methoxy]propanamide
CID 137186134

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-methyl-2-[(propanoylamino)oxymethyl]benzamide?
The IUPAC name of N-hydroxy-3-methyl-2-[(propanoylamino)oxymethyl]benzamide (CID 130318288) is N-hydroxy-3-methyl-2-[(propanoylamino)oxymethyl]benzamide.
What is the SMILES notation for N-hydroxy-3-methyl-2-[(propanoylamino)oxymethyl]benzamide?
The canonical SMILES for N-hydroxy-3-methyl-2-[(propanoylamino)oxymethyl]benzamide is CCC(=O)NOCc1c(C)cccc1C(=O)NO.
What is the InChIKey of N-hydroxy-3-methyl-2-[(propanoylamino)oxymethyl]benzamide?
The InChIKey is QSSVWXXDWBLHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-3-11(15)14-18-7-10-8(2)5-4-6-9(10)12(16)13-17/h4-6,17H,3,7H2,1-2H3,(H,13,16)(H,14,15).
What are the key properties of N-hydroxy-3-methyl-2-[(propanoylamino)oxymethyl]benzamide?
N-hydroxy-3-methyl-2-[(propanoylamino)oxymethyl]benzamide has a molecular weight of 252.27 g/mol, XLogP of 1.07, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-methyl-2-[(propanoylamino)oxymethyl]benzamide is sourced from PubChem (CID 130318288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).