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

C18H20N2O2 — CID 90053412

IUPACN-hydroxy-2-[4-(4-imino-4-phenylbutyl)phenyl]acetamide
SMILES[H]/N=C(/CCCc1ccc(CC(=O)NO)cc1)c1ccccc1
InChIInChI=1S/C18H20N2O2/c19-17(16-6-2-1-3-7-16)8-4-5-14-9-11-15(12-10-14)13-18(21)20-22/h1-3,6-7,9-12,19,22H,4-5,8,13H2,(H,20,21)/b19-17-
InChIKeyIVESSNGRCUCFBY-ZPHPHTNESA-N
MW296.37 g/mol
LogP3.13
Rot. Bonds7

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

N-hydroxy-2-[4-(4-imino-4-phenylbutyl)phenyl]acetamide (PubChem CID 90053412) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-hydroxy-2-[4-(4-imino-4-phenylbutyl)phenyl]acetamide.

Molecular Properties

Compound NameN-hydroxy-2-[4-(4-imino-4-phenylbutyl)phenyl]acetamide
PubChem CID90053412
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC NameN-hydroxy-2-[4-(4-imino-4-phenylbutyl)phenyl]acetamide
SMILES[H]/N=C(/CCCc1ccc(CC(=O)NO)cc1)c1ccccc1
InChIInChI=1S/C18H20N2O2/c19-17(16-6-2-1-3-7-16)8-4-5-14-9-11-15(12-10-14)13-18(21)20-22/h1-3,6-7,9-12,19,22H,4-5,8,13H2,(H,20,21)/b19-17-
InChIKeyIVESSNGRCUCFBY-ZPHPHTNESA-N
XLogP3.13
TPSA73.18 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-2-[4-[(4Z)-4-hydroxyimino-4-phenylbutyl]phenyl]acetamide
CID 90006215
N-hydroxy-3-[4-(2-phenylethyl)phenyl]propanamide
CID 22986796
N,N-dibenzyl-4-[2-(hydroxyamino)-2-oxoethyl]benzamide
CID 71519573
4-(4-bromophenyl)-N-hydroxybutanamide
CID 139305557
N-hydroxy-3-(4-phenylphenyl)propanamide
CID 22915508
N-hydroxy-6-phenylhexanamide;thiohydroxylamine
CID 142086803
5-(4-bromophenyl)-1-phenylpentan-2-one
CID 157218581
4-(4-benzoylphenyl)-1-phenylbutan-1-one
CID 15737707
N-methyl-4-[4-(4-phenylbutyl)phenyl]butanamide
CID 58974296
1,12-bis(4-ethenylphenyl)dodecan-1-imine
CID 176897095
N-hydroxy-2-[4-[4-[4-[(2-hydroxyacetyl)amino]phenyl]butyl]phenyl]acetamide
CID 73425834
2-[4-[4-(3,4-dimethylphenyl)butyl]phenyl]-N-hydroxyacetamide
CID 90049516

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[4-(4-imino-4-phenylbutyl)phenyl]acetamide?
The IUPAC name of N-hydroxy-2-[4-(4-imino-4-phenylbutyl)phenyl]acetamide (CID 90053412) is N-hydroxy-2-[4-(4-imino-4-phenylbutyl)phenyl]acetamide.
What is the SMILES notation for N-hydroxy-2-[4-(4-imino-4-phenylbutyl)phenyl]acetamide?
The canonical SMILES for N-hydroxy-2-[4-(4-imino-4-phenylbutyl)phenyl]acetamide is [H]/N=C(/CCCc1ccc(CC(=O)NO)cc1)c1ccccc1.
What is the InChIKey of N-hydroxy-2-[4-(4-imino-4-phenylbutyl)phenyl]acetamide?
The InChIKey is IVESSNGRCUCFBY-ZPHPHTNESA-N. The full InChI is InChI=1S/C18H20N2O2/c19-17(16-6-2-1-3-7-16)8-4-5-14-9-11-15(12-10-14)13-18(21)20-22/h1-3,6-7,9-12,19,22H,4-5,8,13H2,(H,20,21)/b19-17-.
What are the key properties of N-hydroxy-2-[4-(4-imino-4-phenylbutyl)phenyl]acetamide?
N-hydroxy-2-[4-(4-imino-4-phenylbutyl)phenyl]acetamide has a molecular weight of 296.37 g/mol, XLogP of 3.13, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[4-(4-imino-4-phenylbutyl)phenyl]acetamide is sourced from PubChem (CID 90053412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).