(2S)-2-[(Z)-benzylideneamino]oxy-N-phenylpropanamide

C16H16N2O2 — CID 7644163

IUPAC(2S)-2-[(Z)-benzylideneamino]oxy-N-phenylpropanamide
SMILESC[C@H](O/N=C\c1ccccc1)C(=O)Nc1ccccc1
InChIInChI=1S/C16H16N2O2/c1-13(16(19)18-15-10-6-3-7-11-15)20-17-12-14-8-4-2-5-9-14/h2-13H,1H3,(H,18,19)/b17-12-/t13-/m0/s1
InChIKeyCKZPNHVPVFHILQ-IGWPVBGESA-N
MW268.32 g/mol
LogP3.06
Rot. Bonds5

About (2S)-2-[(Z)-benzylideneamino]oxy-N-phenylpropanamide

(2S)-2-[(Z)-benzylideneamino]oxy-N-phenylpropanamide (PubChem CID 7644163) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is (2S)-2-[(Z)-benzylideneamino]oxy-N-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-[(Z)-benzylideneamino]oxy-N-phenylpropanamide
PubChem CID7644163
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name(2S)-2-[(Z)-benzylideneamino]oxy-N-phenylpropanamide
SMILESC[C@H](O/N=C\c1ccccc1)C(=O)Nc1ccccc1
InChIInChI=1S/C16H16N2O2/c1-13(16(19)18-15-10-6-3-7-11-15)20-17-12-14-8-4-2-5-9-14/h2-13H,1H3,(H,18,19)/b17-12-/t13-/m0/s1
InChIKeyCKZPNHVPVFHILQ-IGWPVBGESA-N
XLogP3.06
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[(Z)-(4-bromophenyl)methylideneamino]oxy-N-(3-methylphenyl)propanamide
CID 7702289
(2R)-2-[(Z)-(4-ethylphenyl)methylideneamino]oxy-N-(3-methylphenyl)propanamide
CID 7699307
(2S)-N-(3-chlorophenyl)-2-[(Z)-(3-fluorophenyl)methylideneamino]oxypropanamide
CID 7704553
2-(1-anilino-1-oxopropan-2-yl)oxy-N-phenylpropanamide
CID 141218606
(2R)-2-methoxy-N-phenylpropanamide
CID 11805321
(2S)-2-[(4-ethoxyphenyl)methylideneamino]oxy-N-(3-methylphenyl)propanamide
CID 129449168
(2R)-N-(4-chlorophenyl)-2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxypropanamide
CID 7670002
(2S)-N-(4-chlorophenyl)-2-[(Z)-(2-methylphenyl)methylideneamino]oxypropanamide
CID 7670513
N-(3,4-dimethoxyphenyl)-2-[(E)-(3,4-dimethoxyphenyl)methylideneamino]oxypropanamide
CID 24511843
(2R)-N-(3-cyanophenyl)-2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxypropanamide
CID 7669953
(2S)-2-[(Z)-(2-methylphenyl)methylideneamino]oxy-N-[4-(trifluoromethyl)phenyl]propanamide
CID 7670510
[(2S)-1-anilino-1-oxopropan-2-yl] acetate
CID 7000051

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(Z)-benzylideneamino]oxy-N-phenylpropanamide?
The IUPAC name of (2S)-2-[(Z)-benzylideneamino]oxy-N-phenylpropanamide (CID 7644163) is (2S)-2-[(Z)-benzylideneamino]oxy-N-phenylpropanamide.
What is the SMILES notation for (2S)-2-[(Z)-benzylideneamino]oxy-N-phenylpropanamide?
The canonical SMILES for (2S)-2-[(Z)-benzylideneamino]oxy-N-phenylpropanamide is C[C@H](O/N=C\c1ccccc1)C(=O)Nc1ccccc1.
What is the InChIKey of (2S)-2-[(Z)-benzylideneamino]oxy-N-phenylpropanamide?
The InChIKey is CKZPNHVPVFHILQ-IGWPVBGESA-N. The full InChI is InChI=1S/C16H16N2O2/c1-13(16(19)18-15-10-6-3-7-11-15)20-17-12-14-8-4-2-5-9-14/h2-13H,1H3,(H,18,19)/b17-12-/t13-/m0/s1.
What are the key properties of (2S)-2-[(Z)-benzylideneamino]oxy-N-phenylpropanamide?
(2S)-2-[(Z)-benzylideneamino]oxy-N-phenylpropanamide has a molecular weight of 268.32 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(Z)-benzylideneamino]oxy-N-phenylpropanamide is sourced from PubChem (CID 7644163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).