N-[(4Z)-4-hydroxyimino-4-phenylbutyl]acetamide

C12H16N2O2 — CID 121011594

IUPACN-[(4Z)-4-hydroxyimino-4-phenylbutyl]acetamide
SMILESCC(=O)NCCC/C(=N/O)c1ccccc1
InChIInChI=1S/C12H16N2O2/c1-10(15)13-9-5-8-12(14-16)11-6-3-2-4-7-11/h2-4,6-7,16H,5,8-9H2,1H3,(H,13,15)/b14-12-
InChIKeyFXBTWLYGZQJQEM-OWBHPGMISA-N
MW220.27 g/mol
LogP1.78
Rot. Bonds5

About N-[(4Z)-4-hydroxyimino-4-phenylbutyl]acetamide

N-[(4Z)-4-hydroxyimino-4-phenylbutyl]acetamide (PubChem CID 121011594) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is N-[(4Z)-4-hydroxyimino-4-phenylbutyl]acetamide.

Molecular Properties

Compound NameN-[(4Z)-4-hydroxyimino-4-phenylbutyl]acetamide
PubChem CID121011594
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC NameN-[(4Z)-4-hydroxyimino-4-phenylbutyl]acetamide
SMILESCC(=O)NCCC/C(=N/O)c1ccccc1
InChIInChI=1S/C12H16N2O2/c1-10(15)13-9-5-8-12(14-16)11-6-3-2-4-7-11/h2-4,6-7,16H,5,8-9H2,1H3,(H,13,15)/b14-12-
InChIKeyFXBTWLYGZQJQEM-OWBHPGMISA-N
XLogP1.78
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(4-phenylpent-4-enyl)acetamide
CID 10798197
(6Z)-6-hydroxyimino-6-phenylhexanoic acid
CID 121009203
methyl 5-hydroxyimino-5-phenylpentanoate
CID 85308138
8-hydroxyimino-8-phenyloctanoic acid
CID 85433757
N-(3-deuterio-4-oxo-4-phenylbutyl)acetamide
CID 10632099
(NZ)-N-(1-phenyloctylidene)hydroxylamine
CID 5372164
(NE)-N-(1-phenyldodecylidene)hydroxylamine
CID 6013511
(NE)-N-(1-phenyltetradecylidene)hydroxylamine
CID 6283340
N-(3-acetamidopropyl)-5-oxo-5-phenylpentanamide
CID 110354627
acetic acid;2-hydroxyimino-2-phenylethanol
CID 57373390
N-(4-oxopentyl)benzamide
CID 10798281
CID 134863341
CID 134863341

Frequently Asked Questions

What is the IUPAC name of N-[(4Z)-4-hydroxyimino-4-phenylbutyl]acetamide?
The IUPAC name of N-[(4Z)-4-hydroxyimino-4-phenylbutyl]acetamide (CID 121011594) is N-[(4Z)-4-hydroxyimino-4-phenylbutyl]acetamide.
What is the SMILES notation for N-[(4Z)-4-hydroxyimino-4-phenylbutyl]acetamide?
The canonical SMILES for N-[(4Z)-4-hydroxyimino-4-phenylbutyl]acetamide is CC(=O)NCCC/C(=N/O)c1ccccc1.
What is the InChIKey of N-[(4Z)-4-hydroxyimino-4-phenylbutyl]acetamide?
The InChIKey is FXBTWLYGZQJQEM-OWBHPGMISA-N. The full InChI is InChI=1S/C12H16N2O2/c1-10(15)13-9-5-8-12(14-16)11-6-3-2-4-7-11/h2-4,6-7,16H,5,8-9H2,1H3,(H,13,15)/b14-12-.
What are the key properties of N-[(4Z)-4-hydroxyimino-4-phenylbutyl]acetamide?
N-[(4Z)-4-hydroxyimino-4-phenylbutyl]acetamide has a molecular weight of 220.27 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4Z)-4-hydroxyimino-4-phenylbutyl]acetamide is sourced from PubChem (CID 121011594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).