(2R)-N-(3-cyanophenyl)-2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxypropanamide

C19H19N3O3 — CID 7669953

IUPAC(2R)-N-(3-cyanophenyl)-2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxypropanamide
SMILESCCOc1ccc(/C=N\O[C@H](C)C(=O)Nc2cccc(C#N)c2)cc1
InChIInChI=1S/C19H19N3O3/c1-3-24-18-9-7-15(8-10-18)13-21-25-14(2)19(23)22-17-6-4-5-16(11-17)12-20/h4-11,13-14H,3H2,1-2H3,(H,22,23)/b21-13-/t14-/m1/s1
InChIKeyPPBUGKVJMMAYQV-SFDYMUJDSA-N
MW337.38 g/mol
LogP3.33
Rot. Bonds7

About (2R)-N-(3-cyanophenyl)-2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxypropanamide

(2R)-N-(3-cyanophenyl)-2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxypropanamide (PubChem CID 7669953) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is (2R)-N-(3-cyanophenyl)-2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxypropanamide.

Molecular Properties

Compound Name(2R)-N-(3-cyanophenyl)-2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxypropanamide
PubChem CID7669953
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name(2R)-N-(3-cyanophenyl)-2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxypropanamide
SMILESCCOc1ccc(/C=N\O[C@H](C)C(=O)Nc2cccc(C#N)c2)cc1
InChIInChI=1S/C19H19N3O3/c1-3-24-18-9-7-15(8-10-18)13-21-25-14(2)19(23)22-17-6-4-5-16(11-17)12-20/h4-11,13-14H,3H2,1-2H3,(H,22,23)/b21-13-/t14-/m1/s1
InChIKeyPPBUGKVJMMAYQV-SFDYMUJDSA-N
XLogP3.33
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[(4-ethoxyphenyl)methylideneamino]oxy-N-(3-methylphenyl)propanamide
CID 129449168
(2S)-N-(3,4-difluorophenyl)-2-[(4-ethoxyphenyl)methylideneamino]oxypropanamide
CID 129420682
(2R)-N-(4-chlorophenyl)-2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxypropanamide
CID 7670002
2-[(E)-(4-ethoxyphenyl)methylideneamino]oxy-N-(3-fluoro-4-methylphenyl)propanamide
CID 24511868
N-(3-cyanophenyl)-2-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxypropanamide
CID 18227611
N-(3-cyanophenyl)-2-ethoxypropanamide
CID 43187565
[(2S)-1-(3-cyanoanilino)-1-oxopropan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884711
(2R)-2-[(Z)-(4-ethylphenyl)methylideneamino]oxy-N-(3-methylphenyl)propanamide
CID 7699307
[(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl] (E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoate
CID 8517458
(2S)-N-(3-cyanophenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide
CID 8008538
N-[(2R)-1-(3-cyanoanilino)-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide
CID 40742445
N-(3-cyanophenyl)-4-ethoxybenzamide
CID 2707612

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-cyanophenyl)-2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxypropanamide?
The IUPAC name of (2R)-N-(3-cyanophenyl)-2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxypropanamide (CID 7669953) is (2R)-N-(3-cyanophenyl)-2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxypropanamide.
What is the SMILES notation for (2R)-N-(3-cyanophenyl)-2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxypropanamide?
The canonical SMILES for (2R)-N-(3-cyanophenyl)-2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxypropanamide is CCOc1ccc(/C=N\O[C@H](C)C(=O)Nc2cccc(C#N)c2)cc1.
What is the InChIKey of (2R)-N-(3-cyanophenyl)-2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxypropanamide?
The InChIKey is PPBUGKVJMMAYQV-SFDYMUJDSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-3-24-18-9-7-15(8-10-18)13-21-25-14(2)19(23)22-17-6-4-5-16(11-17)12-20/h4-11,13-14H,3H2,1-2H3,(H,22,23)/b21-13-/t14-/m1/s1.
What are the key properties of (2R)-N-(3-cyanophenyl)-2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxypropanamide?
(2R)-N-(3-cyanophenyl)-2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxypropanamide has a molecular weight of 337.38 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-cyanophenyl)-2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxypropanamide is sourced from PubChem (CID 7669953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).