(2R)-N-(4-chlorophenyl)-2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxypropanamide

C18H19ClN2O3 — CID 7670002

IUPAC(2R)-N-(4-chlorophenyl)-2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxypropanamide
SMILESCCOc1ccc(/C=N\O[C@H](C)C(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H19ClN2O3/c1-3-23-17-10-4-14(5-11-17)12-20-24-13(2)18(22)21-16-8-6-15(19)7-9-16/h4-13H,3H2,1-2H3,(H,21,22)/b20-12-/t13-/m1/s1
InChIKeyJXNFTIFJLQJPIT-UAAGNOOKSA-N
MW346.81 g/mol
LogP4.12
Rot. Bonds7

About (2R)-N-(4-chlorophenyl)-2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxypropanamide

(2R)-N-(4-chlorophenyl)-2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxypropanamide (PubChem CID 7670002) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is (2R)-N-(4-chlorophenyl)-2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxypropanamide.

Molecular Properties

Compound Name(2R)-N-(4-chlorophenyl)-2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxypropanamide
PubChem CID7670002
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC Name(2R)-N-(4-chlorophenyl)-2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxypropanamide
SMILESCCOc1ccc(/C=N\O[C@H](C)C(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H19ClN2O3/c1-3-23-17-10-4-14(5-11-17)12-20-24-13(2)18(22)21-16-8-6-15(19)7-9-16/h4-13H,3H2,1-2H3,(H,21,22)/b20-12-/t13-/m1/s1
InChIKeyJXNFTIFJLQJPIT-UAAGNOOKSA-N
XLogP4.12
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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)-N-(3,4-difluorophenyl)-2-[(4-ethoxyphenyl)methylideneamino]oxypropanamide
CID 129420682
2-[(E)-(4-ethoxyphenyl)methylideneamino]oxy-N-(3-fluoro-4-methylphenyl)propanamide
CID 24511868
(2S)-2-[(4-ethoxyphenyl)methylideneamino]oxy-N-(3-methylphenyl)propanamide
CID 129449168
(2R)-N-(3-cyanophenyl)-2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxypropanamide
CID 7669953
(E)-3-(4-chlorophenyl)-N-(4-ethoxyphenyl)prop-2-enamide
CID 692423
N-(4-chlorophenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 886082
(2R)-N-(4-chlorophenyl)-2-[(Z)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]oxypropanamide
CID 7700436
(2R)-2-[(Z)-(4-chlorophenyl)methylideneamino]oxy-N-(2,5-dichlorophenyl)propanamide
CID 7701109
[(2S)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-(4-formylphenoxy)acetate
CID 2523575
(2S)-2-[(Z)-benzylideneamino]oxy-N-phenylpropanamide
CID 7644163
(2S)-N-(4-chlorophenyl)-2-[(Z)-(2-methylphenyl)methylideneamino]oxypropanamide
CID 7670513
(1-anilino-1-oxopropan-2-yl) (E)-3-(4-ethoxyphenyl)prop-2-enoate
CID 78763934

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-chlorophenyl)-2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxypropanamide?
The IUPAC name of (2R)-N-(4-chlorophenyl)-2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxypropanamide (CID 7670002) is (2R)-N-(4-chlorophenyl)-2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxypropanamide.
What is the SMILES notation for (2R)-N-(4-chlorophenyl)-2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxypropanamide?
The canonical SMILES for (2R)-N-(4-chlorophenyl)-2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxypropanamide is CCOc1ccc(/C=N\O[C@H](C)C(=O)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of (2R)-N-(4-chlorophenyl)-2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxypropanamide?
The InChIKey is JXNFTIFJLQJPIT-UAAGNOOKSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-3-23-17-10-4-14(5-11-17)12-20-24-13(2)18(22)21-16-8-6-15(19)7-9-16/h4-13H,3H2,1-2H3,(H,21,22)/b20-12-/t13-/m1/s1.
What are the key properties of (2R)-N-(4-chlorophenyl)-2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxypropanamide?
(2R)-N-(4-chlorophenyl)-2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxypropanamide has a molecular weight of 346.81 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-chlorophenyl)-2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxypropanamide is sourced from PubChem (CID 7670002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).