N-[(2Z)-2-hydroxyimino-2-phenylethyl]-N-methylbenzamide

C16H16N2O2 — CID 5384608

IUPACN-[(2Z)-2-hydroxyimino-2-phenylethyl]-N-methylbenzamide
SMILESCN(C/C(=N\O)c1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C16H16N2O2/c1-18(16(19)14-10-6-3-7-11-14)12-15(17-20)13-8-4-2-5-9-13/h2-11,20H,12H2,1H3/b17-15+
InChIKeyWDVLWDTZNXBCSZ-BMRADRMJSA-N
MW268.32 g/mol
LogP2.64
Rot. Bonds4

About N-[(2Z)-2-hydroxyimino-2-phenylethyl]-N-methylbenzamide

N-[(2Z)-2-hydroxyimino-2-phenylethyl]-N-methylbenzamide (PubChem CID 5384608) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is N-[(2Z)-2-hydroxyimino-2-phenylethyl]-N-methylbenzamide.

Molecular Properties

Compound NameN-[(2Z)-2-hydroxyimino-2-phenylethyl]-N-methylbenzamide
PubChem CID5384608
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC NameN-[(2Z)-2-hydroxyimino-2-phenylethyl]-N-methylbenzamide
SMILESCN(C/C(=N\O)c1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C16H16N2O2/c1-18(16(19)14-10-6-3-7-11-14)12-15(17-20)13-8-4-2-5-9-13/h2-11,20H,12H2,1H3/b17-15+
InChIKeyWDVLWDTZNXBCSZ-BMRADRMJSA-N
XLogP2.64
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.64
H-Bond Donors ≤ 51
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-amino-2-hydroxyiminoethyl)-N-methylbenzamide
CID 76928946
N-[5-[benzoyl(methyl)amino]-2,4-bis(sulfanylidene)pentyl]-N-methylbenzamide
CID 58459694
2-[(4-benzoylbenzoyl)-methylamino]acetic acid
CID 175926821
N-[2-(diethylamino)-2-oxoethyl]-N-methylbenzamide
CID 60668984
N-[(dimethylamino)methyl]-N-methylbenzamide
CID 12719368
acetic acid;2-hydroxyimino-2-phenylethanol
CID 57373390
tert-butyl 2-[benzoyl(methyl)amino]acetate
CID 78991310
3-[[2-[benzoyl(methyl)amino]acetyl]-methylamino]propanoic acid
CID 60988422
N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 60636554
N-(2-aminoethyl)-N-methylbenzamide
CID 28707416
2-[[2-[benzoyl(methyl)amino]acetyl]-methylamino]propanoic acid
CID 62627453
N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide
CID 13214665

Frequently Asked Questions

What is the IUPAC name of N-[(2Z)-2-hydroxyimino-2-phenylethyl]-N-methylbenzamide?
The IUPAC name of N-[(2Z)-2-hydroxyimino-2-phenylethyl]-N-methylbenzamide (CID 5384608) is N-[(2Z)-2-hydroxyimino-2-phenylethyl]-N-methylbenzamide.
What is the SMILES notation for N-[(2Z)-2-hydroxyimino-2-phenylethyl]-N-methylbenzamide?
The canonical SMILES for N-[(2Z)-2-hydroxyimino-2-phenylethyl]-N-methylbenzamide is CN(C/C(=N\O)c1ccccc1)C(=O)c1ccccc1.
What is the InChIKey of N-[(2Z)-2-hydroxyimino-2-phenylethyl]-N-methylbenzamide?
The InChIKey is WDVLWDTZNXBCSZ-BMRADRMJSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-18(16(19)14-10-6-3-7-11-14)12-15(17-20)13-8-4-2-5-9-13/h2-11,20H,12H2,1H3/b17-15+.
What are the key properties of N-[(2Z)-2-hydroxyimino-2-phenylethyl]-N-methylbenzamide?
N-[(2Z)-2-hydroxyimino-2-phenylethyl]-N-methylbenzamide has a molecular weight of 268.32 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z)-2-hydroxyimino-2-phenylethyl]-N-methylbenzamide is sourced from PubChem (CID 5384608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).