[(Z)-(2,4-dimethoxyphenyl)methylideneamino] 3-cyclohex-2-en-1-yloxypropanoate

C18H23NO5 — CID 10735395

IUPAC[(Z)-(2,4-dimethoxyphenyl)methylideneamino] 3-cyclohex-2-en-1-yloxypropanoate
SMILESCOc1ccc(/C=N\OC(=O)CCOC2C=CCCC2)c(OC)c1
InChIInChI=1S/C18H23NO5/c1-21-16-9-8-14(17(12-16)22-2)13-19-24-18(20)10-11-23-15-6-4-3-5-7-15/h4,6,8-9,12-13,15H,3,5,7,10-11H2,1-2H3/b19-13-
InChIKeyHTMOAENHBSTRJL-UYRXBGFRSA-N
MW333.38 g/mol
LogP3.10
Rot. Bonds8

About [(Z)-(2,4-dimethoxyphenyl)methylideneamino] 3-cyclohex-2-en-1-yloxypropanoate

[(Z)-(2,4-dimethoxyphenyl)methylideneamino] 3-cyclohex-2-en-1-yloxypropanoate (PubChem CID 10735395) has the molecular formula C18H23NO5 and a molecular weight of 333.38 g/mol. Its IUPAC name is [(Z)-(2,4-dimethoxyphenyl)methylideneamino] 3-cyclohex-2-en-1-yloxypropanoate.

Molecular Properties

Compound Name[(Z)-(2,4-dimethoxyphenyl)methylideneamino] 3-cyclohex-2-en-1-yloxypropanoate
PubChem CID10735395
Molecular FormulaC18H23NO5
Molecular Weight333.38 g/mol
Exact Mass333.16
IUPAC Name[(Z)-(2,4-dimethoxyphenyl)methylideneamino] 3-cyclohex-2-en-1-yloxypropanoate
SMILESCOc1ccc(/C=N\OC(=O)CCOC2C=CCCC2)c(OC)c1
InChIInChI=1S/C18H23NO5/c1-21-16-9-8-14(17(12-16)22-2)13-19-24-18(20)10-11-23-15-6-4-3-5-7-15/h4,6,8-9,12-13,15H,3,5,7,10-11H2,1-2H3/b19-13-
InChIKeyHTMOAENHBSTRJL-UYRXBGFRSA-N
XLogP3.10
TPSA66.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(E)-(2,4,6-trimethoxyphenyl)methylideneamino] 3-cyclohex-2-en-1-yloxypropanoate
CID 177423120
1-(2,4-dimethoxyphenyl)-N-methylmethanimine
CID 518060
2-[(E)-(2,5-dimethoxyphenyl)methylideneamino]oxy-1-(2,6-dimethylpiperidin-1-yl)ethanone
CID 43013378
N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-2-methylpropanamide
CID 94833653
N'-[(E)-(2,4-dimethoxyphenyl)methylideneamino]oxamide
CID 6907755
N-[[4-methoxy-2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 22684938
1-(2-cyclohex-2-en-1-yloxy-4-methoxyphenyl)propan-2-amine
CID 114620682
N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-3-ethoxypropanamide
CID 43887205
N'-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-N-propan-2-yloxamide
CID 7658901
(1S,6S,7R)-N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-1-methylbicyclo[4.1.0]heptane-7-carboxamide
CID 5403384
N-cyclohex-2-en-1-yl-2,4-dimethoxyaniline
CID 107906285
2-[benzenesulfonyl(cyclohexyl)amino]-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]acetamide
CID 92511645

Frequently Asked Questions

What is the IUPAC name of [(Z)-(2,4-dimethoxyphenyl)methylideneamino] 3-cyclohex-2-en-1-yloxypropanoate?
The IUPAC name of [(Z)-(2,4-dimethoxyphenyl)methylideneamino] 3-cyclohex-2-en-1-yloxypropanoate (CID 10735395) is [(Z)-(2,4-dimethoxyphenyl)methylideneamino] 3-cyclohex-2-en-1-yloxypropanoate.
What is the SMILES notation for [(Z)-(2,4-dimethoxyphenyl)methylideneamino] 3-cyclohex-2-en-1-yloxypropanoate?
The canonical SMILES for [(Z)-(2,4-dimethoxyphenyl)methylideneamino] 3-cyclohex-2-en-1-yloxypropanoate is COc1ccc(/C=N\OC(=O)CCOC2C=CCCC2)c(OC)c1.
What is the InChIKey of [(Z)-(2,4-dimethoxyphenyl)methylideneamino] 3-cyclohex-2-en-1-yloxypropanoate?
The InChIKey is HTMOAENHBSTRJL-UYRXBGFRSA-N. The full InChI is InChI=1S/C18H23NO5/c1-21-16-9-8-14(17(12-16)22-2)13-19-24-18(20)10-11-23-15-6-4-3-5-7-15/h4,6,8-9,12-13,15H,3,5,7,10-11H2,1-2H3/b19-13-.
What are the key properties of [(Z)-(2,4-dimethoxyphenyl)methylideneamino] 3-cyclohex-2-en-1-yloxypropanoate?
[(Z)-(2,4-dimethoxyphenyl)methylideneamino] 3-cyclohex-2-en-1-yloxypropanoate has a molecular weight of 333.38 g/mol, XLogP of 3.10, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-(2,4-dimethoxyphenyl)methylideneamino] 3-cyclohex-2-en-1-yloxypropanoate is sourced from PubChem (CID 10735395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).