N-hydroxy-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]acetamide

C17H17NO2 — CID 125464018

IUPACN-hydroxy-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]acetamide
SMILESCC(=O)N(O)c1ccc(/C=C/c2ccc(C)cc2)cc1
InChIInChI=1S/C17H17NO2/c1-13-3-5-15(6-4-13)7-8-16-9-11-17(12-10-16)18(20)14(2)19/h3-12,20H,1-2H3/b8-7+
InChIKeyMHVNCMXUOIMMLK-BQYQJAHWSA-N
MW267.33 g/mol
LogP3.91
Rot. Bonds3

About N-hydroxy-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]acetamide

N-hydroxy-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]acetamide (PubChem CID 125464018) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is N-hydroxy-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]acetamide.

Molecular Properties

Compound NameN-hydroxy-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]acetamide
PubChem CID125464018
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC NameN-hydroxy-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]acetamide
SMILESCC(=O)N(O)c1ccc(/C=C/c2ccc(C)cc2)cc1
InChIInChI=1S/C17H17NO2/c1-13-3-5-15(6-4-13)7-8-16-9-11-17(12-10-16)18(20)14(2)19/h3-12,20H,1-2H3/b8-7+
InChIKeyMHVNCMXUOIMMLK-BQYQJAHWSA-N
XLogP3.91
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;4-methyl-N-[4-[(E)-2-[4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline
CID 143133606
N-methyl-4-[2-(4-methylphenyl)ethenyl]-N-[4-[2-(4-methylphenyl)ethenyl]phenyl]aniline
CID 72543320
4-methyl-N,N-bis[4-[2-[4-(4-methylphenyl)phenyl]ethenyl]phenyl]aniline
CID 59805421
ethane;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene
CID 91206086
ethane;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene
CID 90770914
N-acetyl-N-[4-[(E)-2-phenylethenyl]phenyl]acetamide
CID 6366857
3-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]prop-2-enoic acid
CID 123339824
4-[2-(4-methylphenyl)ethenyl]benzoic acid
CID 617184
4-methyl-N-[4-[(E)-2-[4-[(E)-2-[4-(N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-phenylaniline
CID 14366502
2-hydroxy-5-[(E)-2-(4-methylphenyl)ethenyl]cyclohepta-2,4,6-trien-1-one
CID 13400421
[4-(4-methyl-N-[4-[2-[4-[2-[4-(4-methyl-N-(4-prop-2-enoyloxyphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenyl] prop-2-enoate
CID 58807715
ethane;N-methyl-N-(4-methylphenyl)acetamide
CID 143974566

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]acetamide?
The IUPAC name of N-hydroxy-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]acetamide (CID 125464018) is N-hydroxy-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]acetamide.
What is the SMILES notation for N-hydroxy-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]acetamide?
The canonical SMILES for N-hydroxy-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]acetamide is CC(=O)N(O)c1ccc(/C=C/c2ccc(C)cc2)cc1.
What is the InChIKey of N-hydroxy-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]acetamide?
The InChIKey is MHVNCMXUOIMMLK-BQYQJAHWSA-N. The full InChI is InChI=1S/C17H17NO2/c1-13-3-5-15(6-4-13)7-8-16-9-11-17(12-10-16)18(20)14(2)19/h3-12,20H,1-2H3/b8-7+.
What are the key properties of N-hydroxy-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]acetamide?
N-hydroxy-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]acetamide has a molecular weight of 267.33 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]acetamide is sourced from PubChem (CID 125464018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).