(2R)-2-[(Z)-(4-ethylphenyl)methylideneamino]oxy-N-(3-methylphenyl)propanamide

C19H22N2O2 — CID 7699307

IUPAC(2R)-2-[(Z)-(4-ethylphenyl)methylideneamino]oxy-N-(3-methylphenyl)propanamide
SMILESCCc1ccc(/C=N\O[C@H](C)C(=O)Nc2cccc(C)c2)cc1
InChIInChI=1S/C19H22N2O2/c1-4-16-8-10-17(11-9-16)13-20-23-15(3)19(22)21-18-7-5-6-14(2)12-18/h5-13,15H,4H2,1-3H3,(H,21,22)/b20-13-/t15-/m1/s1
InChIKeyUCMZFYGZVIHVLV-CTFRJJSNSA-N
MW310.40 g/mol
LogP3.94
Rot. Bonds6

About (2R)-2-[(Z)-(4-ethylphenyl)methylideneamino]oxy-N-(3-methylphenyl)propanamide

(2R)-2-[(Z)-(4-ethylphenyl)methylideneamino]oxy-N-(3-methylphenyl)propanamide (PubChem CID 7699307) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is (2R)-2-[(Z)-(4-ethylphenyl)methylideneamino]oxy-N-(3-methylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[(Z)-(4-ethylphenyl)methylideneamino]oxy-N-(3-methylphenyl)propanamide
PubChem CID7699307
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name(2R)-2-[(Z)-(4-ethylphenyl)methylideneamino]oxy-N-(3-methylphenyl)propanamide
SMILESCCc1ccc(/C=N\O[C@H](C)C(=O)Nc2cccc(C)c2)cc1
InChIInChI=1S/C19H22N2O2/c1-4-16-8-10-17(11-9-16)13-20-23-15(3)19(22)21-18-7-5-6-14(2)12-18/h5-13,15H,4H2,1-3H3,(H,21,22)/b20-13-/t15-/m1/s1
InChIKeyUCMZFYGZVIHVLV-CTFRJJSNSA-N
XLogP3.94
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.94
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
(2S)-2-[(4-ethoxyphenyl)methylideneamino]oxy-N-(3-methylphenyl)propanamide
CID 129449168
2-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxy-N-(3-methylphenyl)propanamide
CID 18273465
(2S)-2-[(Z)-benzylideneamino]oxy-N-phenylpropanamide
CID 7644163
(2R)-N-(3-cyanophenyl)-2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxypropanamide
CID 7669953
(2R)-N-[(Z)-(4-ethylphenyl)methylideneamino]-2-(3-methylphenoxy)propanamide
CID 5397085
(2S)-N-(3-chlorophenyl)-2-[(Z)-(3-fluorophenyl)methylideneamino]oxypropanamide
CID 7704553
2-[(E)-(4-ethoxyphenyl)methylideneamino]oxy-N-(3-fluoro-4-methylphenyl)propanamide
CID 24511868
(2S)-N-(3,4-difluorophenyl)-2-[(4-ethoxyphenyl)methylideneamino]oxypropanamide
CID 129420682
N-[(4-ethylphenyl)methylideneamino]-2-(3-methylanilino)acetamide
CID 3765946
N-[(E)-(4-ethylphenyl)methylideneamino]-2-(3-methylanilino)acetamide
CID 25251521
(2R)-2-(3-methylphenoxy)-N-(3-methylphenyl)propanamide
CID 7946484

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(Z)-(4-ethylphenyl)methylideneamino]oxy-N-(3-methylphenyl)propanamide?
The IUPAC name of (2R)-2-[(Z)-(4-ethylphenyl)methylideneamino]oxy-N-(3-methylphenyl)propanamide (CID 7699307) is (2R)-2-[(Z)-(4-ethylphenyl)methylideneamino]oxy-N-(3-methylphenyl)propanamide.
What is the SMILES notation for (2R)-2-[(Z)-(4-ethylphenyl)methylideneamino]oxy-N-(3-methylphenyl)propanamide?
The canonical SMILES for (2R)-2-[(Z)-(4-ethylphenyl)methylideneamino]oxy-N-(3-methylphenyl)propanamide is CCc1ccc(/C=N\O[C@H](C)C(=O)Nc2cccc(C)c2)cc1.
What is the InChIKey of (2R)-2-[(Z)-(4-ethylphenyl)methylideneamino]oxy-N-(3-methylphenyl)propanamide?
The InChIKey is UCMZFYGZVIHVLV-CTFRJJSNSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-4-16-8-10-17(11-9-16)13-20-23-15(3)19(22)21-18-7-5-6-14(2)12-18/h5-13,15H,4H2,1-3H3,(H,21,22)/b20-13-/t15-/m1/s1.
What are the key properties of (2R)-2-[(Z)-(4-ethylphenyl)methylideneamino]oxy-N-(3-methylphenyl)propanamide?
(2R)-2-[(Z)-(4-ethylphenyl)methylideneamino]oxy-N-(3-methylphenyl)propanamide has a molecular weight of 310.40 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(Z)-(4-ethylphenyl)methylideneamino]oxy-N-(3-methylphenyl)propanamide is sourced from PubChem (CID 7699307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).