(2S)-N-(4-acetylphenyl)-2-[[amino(phenyl)methylidene]amino]oxypropanamide

C18H19N3O3 — CID 2478819

IUPAC(2S)-N-(4-acetylphenyl)-2-[[amino(phenyl)methylidene]amino]oxypropanamide
SMILESCC(=O)c1ccc(NC(=O)[C@H](C)ON=C(N)c2ccccc2)cc1
InChIInChI=1S/C18H19N3O3/c1-12(22)14-8-10-16(11-9-14)20-18(23)13(2)24-21-17(19)15-6-4-3-5-7-15/h3-11,13H,1-2H3,(H2,19,21)(H,20,23)/t13-/m0/s1
InChIKeyLMRMTLCKUYJHTN-ZDUSSCGKSA-N
MW325.37 g/mol
LogP2.55
Rot. Bonds6

About (2S)-N-(4-acetylphenyl)-2-[[amino(phenyl)methylidene]amino]oxypropanamide

(2S)-N-(4-acetylphenyl)-2-[[amino(phenyl)methylidene]amino]oxypropanamide (PubChem CID 2478819) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is (2S)-N-(4-acetylphenyl)-2-[[amino(phenyl)methylidene]amino]oxypropanamide.

Molecular Properties

Compound Name(2S)-N-(4-acetylphenyl)-2-[[amino(phenyl)methylidene]amino]oxypropanamide
PubChem CID2478819
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name(2S)-N-(4-acetylphenyl)-2-[[amino(phenyl)methylidene]amino]oxypropanamide
SMILESCC(=O)c1ccc(NC(=O)[C@H](C)ON=C(N)c2ccccc2)cc1
InChIInChI=1S/C18H19N3O3/c1-12(22)14-8-10-16(11-9-14)20-18(23)13(2)24-21-17(19)15-6-4-3-5-7-15/h3-11,13H,1-2H3,(H2,19,21)(H,20,23)/t13-/m0/s1
InChIKeyLMRMTLCKUYJHTN-ZDUSSCGKSA-N
XLogP2.55
TPSA93.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(E)-[amino-(4-fluorophenyl)methylidene]amino]oxy-N-(4-iodophenyl)propanamide
CID 55523749
2-[(Z)-[amino-(4-phenylmethoxyphenyl)methylidene]amino]oxy-N-[4-(trifluoromethyl)phenyl]propanamide
CID 166375707
[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] (2R)-2-hydroxy-2-phenylacetate
CID 7821160
N-(3-acetylphenyl)-2-[(Z)-[amino-[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]amino]oxypropanamide
CID 55365572
2-[(E)-[amino-(3-chlorophenyl)methylidene]amino]oxy-N-(4-methylsulfanylphenyl)propanamide
CID 78841430
2-[[amino-(4-methoxyphenyl)methylidene]amino]oxy-N-(3,4-difluorophenyl)propanamide
CID 72691924
(2R)-N-(4-acetylphenyl)-2-amino-2-phenylacetamide
CID 61259858
2-[(E)-1-(4-acetamidophenyl)ethylideneamino]oxy-N-(4-methoxyphenyl)propanamide
CID 24609709
[1-(4-acetylanilino)-1-oxopropan-2-yl] 3-phenylprop-2-enoate
CID 3318249
[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] (2S)-2-phenoxybutanoate
CID 7229778
N-(4-acetylphenyl)-2-(2-tert-butylphenoxy)propanamide
CID 53266435
(2R)-N-(4-acetylphenyl)-2-(2-ethoxyphenoxy)propanamide
CID 7840850

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-acetylphenyl)-2-[[amino(phenyl)methylidene]amino]oxypropanamide?
The IUPAC name of (2S)-N-(4-acetylphenyl)-2-[[amino(phenyl)methylidene]amino]oxypropanamide (CID 2478819) is (2S)-N-(4-acetylphenyl)-2-[[amino(phenyl)methylidene]amino]oxypropanamide.
What is the SMILES notation for (2S)-N-(4-acetylphenyl)-2-[[amino(phenyl)methylidene]amino]oxypropanamide?
The canonical SMILES for (2S)-N-(4-acetylphenyl)-2-[[amino(phenyl)methylidene]amino]oxypropanamide is CC(=O)c1ccc(NC(=O)[C@H](C)ON=C(N)c2ccccc2)cc1.
What is the InChIKey of (2S)-N-(4-acetylphenyl)-2-[[amino(phenyl)methylidene]amino]oxypropanamide?
The InChIKey is LMRMTLCKUYJHTN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-12(22)14-8-10-16(11-9-14)20-18(23)13(2)24-21-17(19)15-6-4-3-5-7-15/h3-11,13H,1-2H3,(H2,19,21)(H,20,23)/t13-/m0/s1.
What are the key properties of (2S)-N-(4-acetylphenyl)-2-[[amino(phenyl)methylidene]amino]oxypropanamide?
(2S)-N-(4-acetylphenyl)-2-[[amino(phenyl)methylidene]amino]oxypropanamide has a molecular weight of 325.37 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-acetylphenyl)-2-[[amino(phenyl)methylidene]amino]oxypropanamide is sourced from PubChem (CID 2478819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).