N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-methylpentanamide

C14H20N2O2 — CID 43210178

IUPACN-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-methylpentanamide
SMILESCCCC(C)C(=O)Nc1ccc(/C(C)=N/O)cc1
InChIInChI=1S/C14H20N2O2/c1-4-5-10(2)14(17)15-13-8-6-12(7-9-13)11(3)16-18/h6-10,18H,4-5H2,1-3H3,(H,15,17)/b16-11+
InChIKeyRCWJEMGQEYOWDK-LFIBNONCSA-N
MW248.33 g/mol
LogP3.26
Rot. Bonds5

About N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-methylpentanamide

N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-methylpentanamide (PubChem CID 43210178) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-methylpentanamide.

Molecular Properties

Compound NameN-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-methylpentanamide
PubChem CID43210178
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-methylpentanamide
SMILESCCCC(C)C(=O)Nc1ccc(/C(C)=N/O)cc1
InChIInChI=1S/C14H20N2O2/c1-4-5-10(2)14(17)15-13-8-6-12(7-9-13)11(3)16-18/h6-10,18H,4-5H2,1-3H3,(H,15,17)/b16-11+
InChIKeyRCWJEMGQEYOWDK-LFIBNONCSA-N
XLogP3.26
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 53.26
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

(2S)-N-(4-acetamidophenyl)-2-methylpentanamide
CID 670216
N-methyl-4-(2-methylpentanoylamino)benzamide
CID 75981619
[amino-[4-(2-methylpentanoylamino)phenyl]methylidene]azanium
CID 21349582
N-(4-hydroxyphenyl)-2-methylpentanamide
CID 43210200
N-(4-carbamothioylphenyl)-2-methylpentanamide
CID 43210162
2-methyl-N-phenylpentanamide
CID 4627801
N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-methylsulfonylpropanamide
CID 104519547
N-[4-(bromomethyl)phenyl]-2-methylpentanamide
CID 114310848
(2R)-2-methyl-N-(4-sulfamoylphenyl)pentanamide
CID 670213
N-(4-acetylphenyl)-4-amino-2-methylbutanamide
CID 80543884
(2S)-N-[4-(cyanomethyl)phenyl]-2-methylpentanamide
CID 94187740
(2S)-N-(4-acetamidophenyl)-2-methylbutanamide
CID 837961

Frequently Asked Questions

What is the IUPAC name of N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-methylpentanamide?
The IUPAC name of N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-methylpentanamide (CID 43210178) is N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-methylpentanamide.
What is the SMILES notation for N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-methylpentanamide?
The canonical SMILES for N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-methylpentanamide is CCCC(C)C(=O)Nc1ccc(/C(C)=N/O)cc1.
What is the InChIKey of N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-methylpentanamide?
The InChIKey is RCWJEMGQEYOWDK-LFIBNONCSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-4-5-10(2)14(17)15-13-8-6-12(7-9-13)11(3)16-18/h6-10,18H,4-5H2,1-3H3,(H,15,17)/b16-11+.
What are the key properties of N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-methylpentanamide?
N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-methylpentanamide has a molecular weight of 248.33 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-methylpentanamide is sourced from PubChem (CID 43210178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).