N-(2-chloro-4-methylphenyl)-2-[(Z)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]oxyacetamide

C20H23ClN2O4 — CID 7700264

IUPACN-(2-chloro-4-methylphenyl)-2-[(Z)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]oxyacetamide
SMILESCOc1cc(/C=N\OCC(=O)Nc2ccc(C)cc2Cl)ccc1OC(C)C
InChIInChI=1S/C20H23ClN2O4/c1-13(2)27-18-8-6-15(10-19(18)25-4)11-22-26-12-20(24)23-17-7-5-14(3)9-16(17)21/h5-11,13H,12H2,1-4H3,(H,23,24)/b22-11-
InChIKeyNBXIQTSSGXKJKM-JJFYIABZSA-N
MW390.87 g/mol
LogP4.43
Rot. Bonds8

About N-(2-chloro-4-methylphenyl)-2-[(Z)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]oxyacetamide

N-(2-chloro-4-methylphenyl)-2-[(Z)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]oxyacetamide (PubChem CID 7700264) has the molecular formula C20H23ClN2O4 and a molecular weight of 390.87 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-2-[(Z)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]oxyacetamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-2-[(Z)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]oxyacetamide
PubChem CID7700264
Molecular FormulaC20H23ClN2O4
Molecular Weight390.87 g/mol
Exact Mass390.13
IUPAC NameN-(2-chloro-4-methylphenyl)-2-[(Z)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]oxyacetamide
SMILESCOc1cc(/C=N\OCC(=O)Nc2ccc(C)cc2Cl)ccc1OC(C)C
InChIInChI=1S/C20H23ClN2O4/c1-13(2)27-18-8-6-15(10-19(18)25-4)11-22-26-12-20(24)23-17-7-5-14(3)9-16(17)21/h5-11,13H,12H2,1-4H3,(H,23,24)/b22-11-
InChIKeyNBXIQTSSGXKJKM-JJFYIABZSA-N
XLogP4.43
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 54.43
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

N-(2,5-dichlorophenyl)-2-[(Z)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]oxyacetamide
CID 7700247
[2-(2-chloro-4-methylanilino)-2-oxoethyl] (E)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enoate
CID 7726768
N-(3-chloro-4-fluorophenyl)-2-[(Z)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]oxyacetamide
CID 7700193
2-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]oxy-N-(2-methoxy-5-methylphenyl)acetamide
CID 7662790
N-(2-chloro-4-methylphenyl)-2-[(Z)-(4-ethylphenyl)methylideneamino]oxyacetamide
CID 7698913
N-(2,5-dichlorophenyl)-2-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]oxyacetamide
CID 7668894
N-(2,5-dimethylphenyl)-2-[(Z)-[3-methoxy-4-(2-methylpropoxy)phenyl]methylideneamino]oxyacetamide
CID 7699940
N-(2-chloro-4,6-dimethylphenyl)-2-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxyacetamide
CID 24606445
methyl 4-[[2-[(Z)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]oxyacetyl]amino]benzoate
CID 7700304
N-(4-chloro-2-fluorophenyl)-2-[(Z)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxyacetamide
CID 7665154
N-(2-chloro-4-methylphenyl)-2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxyacetamide
CID 7703823
2-[(Z)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-(4-methylphenyl)acetamide
CID 7665044

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-2-[(Z)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]oxyacetamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-2-[(Z)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]oxyacetamide (CID 7700264) is N-(2-chloro-4-methylphenyl)-2-[(Z)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]oxyacetamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-2-[(Z)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]oxyacetamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-2-[(Z)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]oxyacetamide is COc1cc(/C=N\OCC(=O)Nc2ccc(C)cc2Cl)ccc1OC(C)C.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-2-[(Z)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]oxyacetamide?
The InChIKey is NBXIQTSSGXKJKM-JJFYIABZSA-N. The full InChI is InChI=1S/C20H23ClN2O4/c1-13(2)27-18-8-6-15(10-19(18)25-4)11-22-26-12-20(24)23-17-7-5-14(3)9-16(17)21/h5-11,13H,12H2,1-4H3,(H,23,24)/b22-11-.
What are the key properties of N-(2-chloro-4-methylphenyl)-2-[(Z)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]oxyacetamide?
N-(2-chloro-4-methylphenyl)-2-[(Z)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]oxyacetamide has a molecular weight of 390.87 g/mol, XLogP of 4.43, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-2-[(Z)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]oxyacetamide is sourced from PubChem (CID 7700264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).