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

C20H21N3O4 — CID 7700326

IUPACN-(4-cyanophenyl)-2-[(Z)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]oxyacetamide
SMILESCOc1cc(/C=N\OCC(=O)Nc2ccc(C#N)cc2)ccc1OC(C)C
InChIInChI=1S/C20H21N3O4/c1-14(2)27-18-9-6-16(10-19(18)25-3)12-22-26-13-20(24)23-17-7-4-15(11-21)5-8-17/h4-10,12,14H,13H2,1-3H3,(H,23,24)/b22-12-
InChIKeyXICFBTSJSYDKTA-UUYOSTAYSA-N
MW367.41 g/mol
LogP3.34
Rot. Bonds8

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

N-(4-cyanophenyl)-2-[(Z)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]oxyacetamide (PubChem CID 7700326) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-[(Z)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]oxyacetamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-[(Z)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]oxyacetamide
PubChem CID7700326
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC NameN-(4-cyanophenyl)-2-[(Z)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]oxyacetamide
SMILESCOc1cc(/C=N\OCC(=O)Nc2ccc(C#N)cc2)ccc1OC(C)C
InChIInChI=1S/C20H21N3O4/c1-14(2)27-18-9-6-16(10-19(18)25-3)12-22-26-13-20(24)23-17-7-4-15(11-21)5-8-17/h4-10,12,14H,13H2,1-3H3,(H,23,24)/b22-12-
InChIKeyXICFBTSJSYDKTA-UUYOSTAYSA-N
XLogP3.34
TPSA92.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 53.34
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

methyl 4-[[2-[(Z)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]oxyacetyl]amino]benzoate
CID 7700304
N-(3-chloro-4-fluorophenyl)-2-[(Z)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]oxyacetamide
CID 7700193
N-(4-bromophenyl)-2-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]oxyacetamide
CID 7668804
2-[(Z)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-(4-methylphenyl)acetamide
CID 7665044
N-(4-cyanophenyl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide
CID 7705396
2-[(Z)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-(3,4-dimethoxyphenyl)acetamide
CID 7665174
N-(2,5-dichlorophenyl)-2-[(Z)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]oxyacetamide
CID 7700247
N-(2-chloro-4-methylphenyl)-2-[(Z)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]oxyacetamide
CID 7700264
2-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 18225212
2-[(4-ethoxy-3-methoxyphenyl)methylideneamino]oxy-N-phenylacetamide
CID 4682317
N-(4-tert-butylphenyl)-2-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]oxyacetamide
CID 7662805
2-[(Z)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-naphthalen-2-ylacetamide
CID 7665106

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-[(Z)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]oxyacetamide?
The IUPAC name of N-(4-cyanophenyl)-2-[(Z)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]oxyacetamide (CID 7700326) is N-(4-cyanophenyl)-2-[(Z)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]oxyacetamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-[(Z)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]oxyacetamide?
The canonical SMILES for N-(4-cyanophenyl)-2-[(Z)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]oxyacetamide is COc1cc(/C=N\OCC(=O)Nc2ccc(C#N)cc2)ccc1OC(C)C.
What is the InChIKey of N-(4-cyanophenyl)-2-[(Z)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]oxyacetamide?
The InChIKey is XICFBTSJSYDKTA-UUYOSTAYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-14(2)27-18-9-6-16(10-19(18)25-3)12-22-26-13-20(24)23-17-7-4-15(11-21)5-8-17/h4-10,12,14H,13H2,1-3H3,(H,23,24)/b22-12-.
What are the key properties of N-(4-cyanophenyl)-2-[(Z)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]oxyacetamide?
N-(4-cyanophenyl)-2-[(Z)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]oxyacetamide has a molecular weight of 367.41 g/mol, XLogP of 3.34, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-[(Z)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]oxyacetamide is sourced from PubChem (CID 7700326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).