2-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxy-N-(cyclohexylcarbamoyl)acetamide

C18H24ClN3O5 — CID 7702990

IUPAC2-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxy-N-(cyclohexylcarbamoyl)acetamide
SMILESCOc1cc(/C=N\OCC(=O)NC(=O)NC2CCCCC2)cc(Cl)c1OC
InChIInChI=1S/C18H24ClN3O5/c1-25-15-9-12(8-14(19)17(15)26-2)10-20-27-11-16(23)22-18(24)21-13-6-4-3-5-7-13/h8-10,13H,3-7,11H2,1-2H3,(H2,21,22,23,24)/b20-10-
InChIKeyWTXBELRKGQUZDH-JMIUGGIZSA-N
MW397.86 g/mol
LogP2.87
Rot. Bonds7

About 2-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxy-N-(cyclohexylcarbamoyl)acetamide

2-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxy-N-(cyclohexylcarbamoyl)acetamide (PubChem CID 7702990) has the molecular formula C18H24ClN3O5 and a molecular weight of 397.86 g/mol. Its IUPAC name is 2-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxy-N-(cyclohexylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxy-N-(cyclohexylcarbamoyl)acetamide
PubChem CID7702990
Molecular FormulaC18H24ClN3O5
Molecular Weight397.86 g/mol
Exact Mass397.14
IUPAC Name2-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxy-N-(cyclohexylcarbamoyl)acetamide
SMILESCOc1cc(/C=N\OCC(=O)NC(=O)NC2CCCCC2)cc(Cl)c1OC
InChIInChI=1S/C18H24ClN3O5/c1-25-15-9-12(8-14(19)17(15)26-2)10-20-27-11-16(23)22-18(24)21-13-6-4-3-5-7-13/h8-10,13H,3-7,11H2,1-2H3,(H2,21,22,23,24)/b20-10-
InChIKeyWTXBELRKGQUZDH-JMIUGGIZSA-N
XLogP2.87
TPSA98.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.86
LogP ≤ 52.87
H-Bond Donors ≤ 52
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

1-(azepan-1-yl)-2-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxyethanone
CID 7702672
2-[(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxyacetic acid
CID 77013358
2-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxy-N,N-di(propan-2-yl)acetamide
CID 7702937
2-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 7702948
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3,4,5-trimethoxybenzoate
CID 8013227
methyl 4-[[2-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxyacetyl]amino]benzoate
CID 7702814
[2-(cyclohexanecarbonylamino)-2-oxoethyl] (E)-3-(3-chloro-4,5-dimethoxyphenyl)prop-2-enoate
CID 55309883
2-[(E)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxy-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 24608098
2-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]oxy-N-(4-chlorophenyl)acetamide
CID 3922392
2-[2-chloro-4-[(Z)-[[2-(cyclohexylamino)acetyl]hydrazinylidene]methyl]-6-methoxyphenoxy]acetic acid
CID 126385152
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 3-chloro-5-methoxy-4-propan-2-yloxybenzoate
CID 7711594
methyl 3-[[2-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxyacetyl]amino]-4-methylbenzoate
CID 7702965

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxy-N-(cyclohexylcarbamoyl)acetamide?
The IUPAC name of 2-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxy-N-(cyclohexylcarbamoyl)acetamide (CID 7702990) is 2-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxy-N-(cyclohexylcarbamoyl)acetamide.
What is the SMILES notation for 2-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxy-N-(cyclohexylcarbamoyl)acetamide?
The canonical SMILES for 2-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxy-N-(cyclohexylcarbamoyl)acetamide is COc1cc(/C=N\OCC(=O)NC(=O)NC2CCCCC2)cc(Cl)c1OC.
What is the InChIKey of 2-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxy-N-(cyclohexylcarbamoyl)acetamide?
The InChIKey is WTXBELRKGQUZDH-JMIUGGIZSA-N. The full InChI is InChI=1S/C18H24ClN3O5/c1-25-15-9-12(8-14(19)17(15)26-2)10-20-27-11-16(23)22-18(24)21-13-6-4-3-5-7-13/h8-10,13H,3-7,11H2,1-2H3,(H2,21,22,23,24)/b20-10-.
What are the key properties of 2-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxy-N-(cyclohexylcarbamoyl)acetamide?
2-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxy-N-(cyclohexylcarbamoyl)acetamide has a molecular weight of 397.86 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxy-N-(cyclohexylcarbamoyl)acetamide is sourced from PubChem (CID 7702990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).