(2R)-N-(5-chloro-2-methoxyphenyl)-2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxypropanamide

C19H21ClN2O5 — CID 7704145

IUPAC(2R)-N-(5-chloro-2-methoxyphenyl)-2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxypropanamide
SMILESCOc1ccc(Cl)cc1NC(=O)[C@@H](C)O/N=C\c1cccc(OC)c1OC
InChIInChI=1S/C19H21ClN2O5/c1-12(19(23)22-15-10-14(20)8-9-16(15)24-2)27-21-11-13-6-5-7-17(25-3)18(13)26-4/h5-12H,1-4H3,(H,22,23)/b21-11-/t12-/m1/s1
InChIKeyLCVDEQIAQXPRJQ-UORWWSPDSA-N
MW392.84 g/mol
LogP3.74
Rot. Bonds8

About (2R)-N-(5-chloro-2-methoxyphenyl)-2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxypropanamide

(2R)-N-(5-chloro-2-methoxyphenyl)-2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxypropanamide (PubChem CID 7704145) has the molecular formula C19H21ClN2O5 and a molecular weight of 392.84 g/mol. Its IUPAC name is (2R)-N-(5-chloro-2-methoxyphenyl)-2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxypropanamide.

Molecular Properties

Compound Name(2R)-N-(5-chloro-2-methoxyphenyl)-2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxypropanamide
PubChem CID7704145
Molecular FormulaC19H21ClN2O5
Molecular Weight392.84 g/mol
Exact Mass392.11
IUPAC Name(2R)-N-(5-chloro-2-methoxyphenyl)-2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxypropanamide
SMILESCOc1ccc(Cl)cc1NC(=O)[C@@H](C)O/N=C\c1cccc(OC)c1OC
InChIInChI=1S/C19H21ClN2O5/c1-12(19(23)22-15-10-14(20)8-9-16(15)24-2)27-21-11-13-6-5-7-17(25-3)18(13)26-4/h5-12H,1-4H3,(H,22,23)/b21-11-/t12-/m1/s1
InChIKeyLCVDEQIAQXPRJQ-UORWWSPDSA-N
XLogP3.74
TPSA78.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.84
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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)-2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxy-N-(2,3,4-trifluorophenyl)propanamide
CID 7704240
(2S)-N-(5-chloro-2-methoxyphenyl)-2-[(Z)-(4-chlorophenyl)methylideneamino]oxypropanamide
CID 7701090
(2R)-N-(5-chloro-2-methoxyphenyl)-2-[(Z)-(4-chlorophenyl)methylideneamino]oxypropanamide
CID 7701093
N-(5-chloro-2-methoxyphenyl)-N'-[(2,3-dimethoxyphenyl)methylideneamino]oxamide
CID 4064116
(2R)-N-(2,4-dichlorophenyl)-2-[(Z)-(2-fluorophenyl)methylideneamino]oxypropanamide
CID 7703394
(2R)-N-(2,4-dichlorophenyl)-2-[(Z)-(2-methylphenyl)methylideneamino]oxypropanamide
CID 7670287
(2S)-N-(2,4-dichlorophenyl)-2-[(Z)-(2-fluorophenyl)methylideneamino]oxypropanamide
CID 7703391
2-[(E)-(2,3-dimethoxyphenyl)methylideneamino]oxy-N-(1,1-dioxothiolan-3-yl)propanamide
CID 55435641
(2S)-2-(3-acetamidophenoxy)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 7698294
N-(5-chloro-2-methoxyphenyl)-2-(2-fluorophenoxy)propanamide
CID 3318555
[1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] benzoate
CID 17419639
(2R)-2-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxy-N-(3-chlorophenyl)propanamide
CID 7702876

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(5-chloro-2-methoxyphenyl)-2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxypropanamide?
The IUPAC name of (2R)-N-(5-chloro-2-methoxyphenyl)-2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxypropanamide (CID 7704145) is (2R)-N-(5-chloro-2-methoxyphenyl)-2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxypropanamide.
What is the SMILES notation for (2R)-N-(5-chloro-2-methoxyphenyl)-2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxypropanamide?
The canonical SMILES for (2R)-N-(5-chloro-2-methoxyphenyl)-2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxypropanamide is COc1ccc(Cl)cc1NC(=O)[C@@H](C)O/N=C\c1cccc(OC)c1OC.
What is the InChIKey of (2R)-N-(5-chloro-2-methoxyphenyl)-2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxypropanamide?
The InChIKey is LCVDEQIAQXPRJQ-UORWWSPDSA-N. The full InChI is InChI=1S/C19H21ClN2O5/c1-12(19(23)22-15-10-14(20)8-9-16(15)24-2)27-21-11-13-6-5-7-17(25-3)18(13)26-4/h5-12H,1-4H3,(H,22,23)/b21-11-/t12-/m1/s1.
What are the key properties of (2R)-N-(5-chloro-2-methoxyphenyl)-2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxypropanamide?
(2R)-N-(5-chloro-2-methoxyphenyl)-2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxypropanamide has a molecular weight of 392.84 g/mol, XLogP of 3.74, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(5-chloro-2-methoxyphenyl)-2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxypropanamide is sourced from PubChem (CID 7704145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).