N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3-methylbutanamide

C13H18N2O2 — CID 24702530

IUPACN-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3-methylbutanamide
SMILESC/C(=N\O)c1ccccc1NC(=O)CC(C)C
InChIInChI=1S/C13H18N2O2/c1-9(2)8-13(16)14-12-7-5-4-6-11(12)10(3)15-17/h4-7,9,17H,8H2,1-3H3,(H,14,16)/b15-10+
InChIKeyHARWLXBKXHMHSG-XNTDXEJSSA-N
MW234.30 g/mol
LogP2.87
Rot. Bonds4

About N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3-methylbutanamide

N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3-methylbutanamide (PubChem CID 24702530) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3-methylbutanamide
PubChem CID24702530
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3-methylbutanamide
SMILESC/C(=N\O)c1ccccc1NC(=O)CC(C)C
InChIInChI=1S/C13H18N2O2/c1-9(2)8-13(16)14-12-7-5-4-6-11(12)10(3)15-17/h4-7,9,17H,8H2,1-3H3,(H,14,16)/b15-10+
InChIKeyHARWLXBKXHMHSG-XNTDXEJSSA-N
XLogP2.87
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.87
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-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]acetamide
CID 71323651
N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-methoxyacetamide
CID 24697766
2-ethyl-N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]butanamide
CID 24707294
N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-phenoxyacetamide
CID 24698020
N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-methylsulfonylpropanamide
CID 104519551
N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3-phenoxypropanamide
CID 24693923
N-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 77115179
2-chloro-N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 24689515
N-(3-acetamido-2-methylphenyl)-3-methylbutanamide
CID 39975961
1-butyl-3-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]urea
CID 43210707
N-(2-isocyanatophenyl)-3-methylbutanamide
CID 169352902
N-(2-acetylphenyl)-3,4,4-trimethylpentanamide
CID 63823020

Frequently Asked Questions

What is the IUPAC name of N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3-methylbutanamide?
The IUPAC name of N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3-methylbutanamide (CID 24702530) is N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3-methylbutanamide.
What is the SMILES notation for N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3-methylbutanamide?
The canonical SMILES for N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3-methylbutanamide is C/C(=N\O)c1ccccc1NC(=O)CC(C)C.
What is the InChIKey of N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3-methylbutanamide?
The InChIKey is HARWLXBKXHMHSG-XNTDXEJSSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9(2)8-13(16)14-12-7-5-4-6-11(12)10(3)15-17/h4-7,9,17H,8H2,1-3H3,(H,14,16)/b15-10+.
What are the key properties of N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3-methylbutanamide?
N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3-methylbutanamide has a molecular weight of 234.30 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3-methylbutanamide is sourced from PubChem (CID 24702530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).