N-hydroxy-2-[4-[(4Z)-4-hydroxyimino-4-phenylbutyl]phenyl]acetamide

C18H20N2O3 — CID 90006215

IUPACN-hydroxy-2-[4-[(4Z)-4-hydroxyimino-4-phenylbutyl]phenyl]acetamide
SMILESO=C(Cc1ccc(CCC/C(=N/O)c2ccccc2)cc1)NO
InChIInChI=1S/C18H20N2O3/c21-18(20-23)13-15-11-9-14(10-12-15)5-4-8-17(19-22)16-6-2-1-3-7-16/h1-3,6-7,9-12,22-23H,4-5,8,13H2,(H,20,21)/b19-17-
InChIKeyKWBTZWRIWVSEMA-ZPHPHTNESA-N
MW312.37 g/mol
LogP2.94
Rot. Bonds7

About N-hydroxy-2-[4-[(4Z)-4-hydroxyimino-4-phenylbutyl]phenyl]acetamide

N-hydroxy-2-[4-[(4Z)-4-hydroxyimino-4-phenylbutyl]phenyl]acetamide (PubChem CID 90006215) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-hydroxy-2-[4-[(4Z)-4-hydroxyimino-4-phenylbutyl]phenyl]acetamide.

Molecular Properties

Compound NameN-hydroxy-2-[4-[(4Z)-4-hydroxyimino-4-phenylbutyl]phenyl]acetamide
PubChem CID90006215
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN-hydroxy-2-[4-[(4Z)-4-hydroxyimino-4-phenylbutyl]phenyl]acetamide
SMILESO=C(Cc1ccc(CCC/C(=N/O)c2ccccc2)cc1)NO
InChIInChI=1S/C18H20N2O3/c21-18(20-23)13-15-11-9-14(10-12-15)5-4-8-17(19-22)16-6-2-1-3-7-16/h1-3,6-7,9-12,22-23H,4-5,8,13H2,(H,20,21)/b19-17-
InChIKeyKWBTZWRIWVSEMA-ZPHPHTNESA-N
XLogP2.94
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', '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-hydroxy-2-[4-(4-imino-4-phenylbutyl)phenyl]acetamide
CID 90053412
(8E)-N-hydroxy-8-hydroxyimino-8-(4-phenylphenyl)octanamide
CID 10088613
(6Z)-6-hydroxyimino-6-phenylhexanoic acid
CID 121009203
8-hydroxyimino-8-phenyloctanoic acid
CID 85433757
methyl 5-hydroxyimino-5-phenylpentanoate
CID 85308138
N-[4-[2-(3-chloropropyl)phenyl]-1-phenylbutylidene]hydroxylamine
CID 88690378
N-[(4Z)-4-hydroxyimino-4-phenylbutyl]acetamide
CID 121011594
N-hydroxy-3-[4-(2-phenylethyl)phenyl]propanamide
CID 22986796
N,N-dibenzyl-4-[2-(hydroxyamino)-2-oxoethyl]benzamide
CID 71519573
2-[4-[4-(3,4-dimethylphenyl)butyl]phenyl]-N-hydroxyacetamide
CID 90049516
(8E)-N-hydroxy-8-hydroxyimino-8-naphthalen-2-yloctanamide
CID 10903123
N-[4-[2-[2-(dimethylamino)ethyl]phenyl]-1-phenylbutylidene]hydroxylamine
CID 88690466

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[4-[(4Z)-4-hydroxyimino-4-phenylbutyl]phenyl]acetamide?
The IUPAC name of N-hydroxy-2-[4-[(4Z)-4-hydroxyimino-4-phenylbutyl]phenyl]acetamide (CID 90006215) is N-hydroxy-2-[4-[(4Z)-4-hydroxyimino-4-phenylbutyl]phenyl]acetamide.
What is the SMILES notation for N-hydroxy-2-[4-[(4Z)-4-hydroxyimino-4-phenylbutyl]phenyl]acetamide?
The canonical SMILES for N-hydroxy-2-[4-[(4Z)-4-hydroxyimino-4-phenylbutyl]phenyl]acetamide is O=C(Cc1ccc(CCC/C(=N/O)c2ccccc2)cc1)NO.
What is the InChIKey of N-hydroxy-2-[4-[(4Z)-4-hydroxyimino-4-phenylbutyl]phenyl]acetamide?
The InChIKey is KWBTZWRIWVSEMA-ZPHPHTNESA-N. The full InChI is InChI=1S/C18H20N2O3/c21-18(20-23)13-15-11-9-14(10-12-15)5-4-8-17(19-22)16-6-2-1-3-7-16/h1-3,6-7,9-12,22-23H,4-5,8,13H2,(H,20,21)/b19-17-.
What are the key properties of N-hydroxy-2-[4-[(4Z)-4-hydroxyimino-4-phenylbutyl]phenyl]acetamide?
N-hydroxy-2-[4-[(4Z)-4-hydroxyimino-4-phenylbutyl]phenyl]acetamide has a molecular weight of 312.37 g/mol, XLogP of 2.94, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[4-[(4Z)-4-hydroxyimino-4-phenylbutyl]phenyl]acetamide is sourced from PubChem (CID 90006215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).