N-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-2,3-dimethylbutanamide

C14H20N2O2 — CID 77015759

IUPACN-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-2,3-dimethylbutanamide
SMILESCC(=NO)c1cccc(NC(=O)C(C)C(C)C)c1
InChIInChI=1S/C14H20N2O2/c1-9(2)10(3)14(17)15-13-7-5-6-12(8-13)11(4)16-18/h5-10,18H,1-4H3,(H,15,17)
InChIKeyXDFBRDLEKBMTGN-UHFFFAOYSA-N
MW248.33 g/mol
LogP3.12
Rot. Bonds4

About N-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-2,3-dimethylbutanamide

N-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-2,3-dimethylbutanamide (PubChem CID 77015759) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-2,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-2,3-dimethylbutanamide
PubChem CID77015759
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-2,3-dimethylbutanamide
SMILESCC(=NO)c1cccc(NC(=O)C(C)C(C)C)c1
InChIInChI=1S/C14H20N2O2/c1-9(2)10(3)14(17)15-13-7-5-6-12(8-13)11(4)16-18/h5-10,18H,1-4H3,(H,15,17)
InChIKeyXDFBRDLEKBMTGN-UHFFFAOYSA-N
XLogP3.12
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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

N-[3-(N'-hydroxycarbamimidoyl)phenyl]-2,3-dimethylbutanamide
CID 77015745
N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 24691047
N-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-2-methoxyacetamide
CID 60732546
1-ethyl-3-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]urea
CID 13119872
N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]cyclopentanecarboxamide
CID 24704616
2-fluoro-N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 24708149
3,4-dihydroxy-N-[3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 107728450
(2R)-N-(3-acetylphenyl)-2-amino-3-methylbutanamide
CID 79013260
2,5-dibromo-N-[3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 114373061
N-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-2-(3-methylphenyl)acetamide
CID 76942761
2-acetamido-N-(3-acetylphenyl)-3-methylbutanamide
CID 17424287
5-chloro-N-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]pyridine-2-carboxamide
CID 77037502

Frequently Asked Questions

What is the IUPAC name of N-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-2,3-dimethylbutanamide?
The IUPAC name of N-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-2,3-dimethylbutanamide (CID 77015759) is N-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-2,3-dimethylbutanamide.
What is the SMILES notation for N-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-2,3-dimethylbutanamide?
The canonical SMILES for N-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-2,3-dimethylbutanamide is CC(=NO)c1cccc(NC(=O)C(C)C(C)C)c1.
What is the InChIKey of N-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-2,3-dimethylbutanamide?
The InChIKey is XDFBRDLEKBMTGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-9(2)10(3)14(17)15-13-7-5-6-12(8-13)11(4)16-18/h5-10,18H,1-4H3,(H,15,17).
What are the key properties of N-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-2,3-dimethylbutanamide?
N-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-2,3-dimethylbutanamide has a molecular weight of 248.33 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-2,3-dimethylbutanamide is sourced from PubChem (CID 77015759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).