2-ethyl-N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]butanamide

C14H20N2O2 — CID 24707294

IUPAC2-ethyl-N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]butanamide
SMILESCCC(CC)C(=O)Nc1ccccc1/C(C)=N/O
InChIInChI=1S/C14H20N2O2/c1-4-11(5-2)14(17)15-13-9-7-6-8-12(13)10(3)16-18/h6-9,11,18H,4-5H2,1-3H3,(H,15,17)/b16-10+
InChIKeyIXRDNVQCZIXVJV-MHWRWJLKSA-N
MW248.33 g/mol
LogP3.26
Rot. Bonds5

About 2-ethyl-N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]butanamide

2-ethyl-N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]butanamide (PubChem CID 24707294) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-ethyl-N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]butanamide
PubChem CID24707294
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-ethyl-N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]butanamide
SMILESCCC(CC)C(=O)Nc1ccccc1/C(C)=N/O
InChIInChI=1S/C14H20N2O2/c1-4-11(5-2)14(17)15-13-9-7-6-8-12(13)10(3)16-18/h6-9,11,18H,4-5H2,1-3H3,(H,15,17)/b16-10+
InChIKeyIXRDNVQCZIXVJV-MHWRWJLKSA-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

N-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]acetamide
CID 71323651
2-(2-ethylbutanoylamino)benzamide
CID 1214109
N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-methylsulfonylpropanamide
CID 104519551
1-butyl-3-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]urea
CID 43210707
N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3-methylbutanamide
CID 24702530
N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-methoxyacetamide
CID 24697766
2-(2-chlorophenyl)-N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]acetamide
CID 43106968
N-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 77115179
N-(2-acetylphenyl)-2-propylpentanamide
CID 113329842
2-chloro-N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 24689515
3-(2-ethylbutanoylamino)-2-methylbenzoic acid
CID 6458658
N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3-phenoxypropanamide
CID 24693923

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]butanamide?
The IUPAC name of 2-ethyl-N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]butanamide (CID 24707294) is 2-ethyl-N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]butanamide?
The canonical SMILES for 2-ethyl-N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]butanamide is CCC(CC)C(=O)Nc1ccccc1/C(C)=N/O.
What is the InChIKey of 2-ethyl-N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]butanamide?
The InChIKey is IXRDNVQCZIXVJV-MHWRWJLKSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-4-11(5-2)14(17)15-13-9-7-6-8-12(13)10(3)16-18/h6-9,11,18H,4-5H2,1-3H3,(H,15,17)/b16-10+.
What are the key properties of 2-ethyl-N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]butanamide?
2-ethyl-N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]butanamide 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 2-ethyl-N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]butanamide is sourced from PubChem (CID 24707294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).