(2S)-2-[(4-ethoxyphenyl)methylideneamino]oxy-N-(3-methylphenyl)propanamide

C19H22N2O3 — CID 129449168

IUPAC(2S)-2-[(4-ethoxyphenyl)methylideneamino]oxy-N-(3-methylphenyl)propanamide
SMILESCCOc1ccc(C=NO[C@@H](C)C(=O)Nc2cccc(C)c2)cc1
InChIInChI=1S/C19H22N2O3/c1-4-23-18-10-8-16(9-11-18)13-20-24-15(3)19(22)21-17-7-5-6-14(2)12-17/h5-13,15H,4H2,1-3H3,(H,21,22)/t15-/m0/s1
InChIKeyBIVGVJKEXZWCDK-HNNXBMFYSA-N
MW326.40 g/mol
LogP3.77
Rot. Bonds7

About (2S)-2-[(4-ethoxyphenyl)methylideneamino]oxy-N-(3-methylphenyl)propanamide

(2S)-2-[(4-ethoxyphenyl)methylideneamino]oxy-N-(3-methylphenyl)propanamide (PubChem CID 129449168) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is (2S)-2-[(4-ethoxyphenyl)methylideneamino]oxy-N-(3-methylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[(4-ethoxyphenyl)methylideneamino]oxy-N-(3-methylphenyl)propanamide
PubChem CID129449168
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name(2S)-2-[(4-ethoxyphenyl)methylideneamino]oxy-N-(3-methylphenyl)propanamide
SMILESCCOc1ccc(C=NO[C@@H](C)C(=O)Nc2cccc(C)c2)cc1
InChIInChI=1S/C19H22N2O3/c1-4-23-18-10-8-16(9-11-18)13-20-24-15(3)19(22)21-17-7-5-6-14(2)12-17/h5-13,15H,4H2,1-3H3,(H,21,22)/t15-/m0/s1
InChIKeyBIVGVJKEXZWCDK-HNNXBMFYSA-N
XLogP3.77
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.77
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

(2R)-N-(3-cyanophenyl)-2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxypropanamide
CID 7669953
(2R)-2-[(Z)-(4-ethylphenyl)methylideneamino]oxy-N-(3-methylphenyl)propanamide
CID 7699307
(2S)-2-[(Z)-(4-bromophenyl)methylideneamino]oxy-N-(3-methylphenyl)propanamide
CID 7702289
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
(2R)-N-(4-chlorophenyl)-2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxypropanamide
CID 7670002
N-(3-ethoxyphenyl)-2-(3-methylphenoxy)propanamide
CID 17098138
2-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxy-N-(3-methylphenyl)propanamide
CID 18273465
1-[(E)-(4-ethoxyphenyl)methylideneamino]-3-(3-methylphenyl)thiourea
CID 5332459
(2S)-2-[(Z)-benzylideneamino]oxy-N-phenylpropanamide
CID 7644163
N-(4-ethoxyphenyl)-N'-(3-methylphenyl)oxamide
CID 44996305
(E)-3-(4-ethoxyphenyl)-N-[(3-methylphenyl)carbamothioyl]prop-2-enamide
CID 17227329

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-ethoxyphenyl)methylideneamino]oxy-N-(3-methylphenyl)propanamide?
The IUPAC name of (2S)-2-[(4-ethoxyphenyl)methylideneamino]oxy-N-(3-methylphenyl)propanamide (CID 129449168) is (2S)-2-[(4-ethoxyphenyl)methylideneamino]oxy-N-(3-methylphenyl)propanamide.
What is the SMILES notation for (2S)-2-[(4-ethoxyphenyl)methylideneamino]oxy-N-(3-methylphenyl)propanamide?
The canonical SMILES for (2S)-2-[(4-ethoxyphenyl)methylideneamino]oxy-N-(3-methylphenyl)propanamide is CCOc1ccc(C=NO[C@@H](C)C(=O)Nc2cccc(C)c2)cc1.
What is the InChIKey of (2S)-2-[(4-ethoxyphenyl)methylideneamino]oxy-N-(3-methylphenyl)propanamide?
The InChIKey is BIVGVJKEXZWCDK-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-4-23-18-10-8-16(9-11-18)13-20-24-15(3)19(22)21-17-7-5-6-14(2)12-17/h5-13,15H,4H2,1-3H3,(H,21,22)/t15-/m0/s1.
What are the key properties of (2S)-2-[(4-ethoxyphenyl)methylideneamino]oxy-N-(3-methylphenyl)propanamide?
(2S)-2-[(4-ethoxyphenyl)methylideneamino]oxy-N-(3-methylphenyl)propanamide has a molecular weight of 326.40 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-ethoxyphenyl)methylideneamino]oxy-N-(3-methylphenyl)propanamide is sourced from PubChem (CID 129449168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).