[(E)-(2,4,6-trimethoxyphenyl)methylideneamino] 3-cyclohex-2-en-1-yloxypropanoate

C19H25NO6 — CID 177423120

IUPAC[(E)-(2,4,6-trimethoxyphenyl)methylideneamino] 3-cyclohex-2-en-1-yloxypropanoate
SMILESCOc1cc(OC)c(/C=N/OC(=O)CCOC2C=CCCC2)c(OC)c1
InChIInChI=1S/C19H25NO6/c1-22-15-11-17(23-2)16(18(12-15)24-3)13-20-26-19(21)9-10-25-14-7-5-4-6-8-14/h5,7,11-14H,4,6,8-10H2,1-3H3/b20-13+
InChIKeyHQDZZMZZUGXMMQ-DEDYPNTBSA-N
MW363.41 g/mol
LogP3.10
Rot. Bonds9

About [(E)-(2,4,6-trimethoxyphenyl)methylideneamino] 3-cyclohex-2-en-1-yloxypropanoate

[(E)-(2,4,6-trimethoxyphenyl)methylideneamino] 3-cyclohex-2-en-1-yloxypropanoate (PubChem CID 177423120) has the molecular formula C19H25NO6 and a molecular weight of 363.41 g/mol. Its IUPAC name is [(E)-(2,4,6-trimethoxyphenyl)methylideneamino] 3-cyclohex-2-en-1-yloxypropanoate.

Molecular Properties

Compound Name[(E)-(2,4,6-trimethoxyphenyl)methylideneamino] 3-cyclohex-2-en-1-yloxypropanoate
PubChem CID177423120
Molecular FormulaC19H25NO6
Molecular Weight363.41 g/mol
Exact Mass363.17
IUPAC Name[(E)-(2,4,6-trimethoxyphenyl)methylideneamino] 3-cyclohex-2-en-1-yloxypropanoate
SMILESCOc1cc(OC)c(/C=N/OC(=O)CCOC2C=CCCC2)c(OC)c1
InChIInChI=1S/C19H25NO6/c1-22-15-11-17(23-2)16(18(12-15)24-3)13-20-26-19(21)9-10-25-14-7-5-4-6-8-14/h5,7,11-14H,4,6,8-10H2,1-3H3/b20-13+
InChIKeyHQDZZMZZUGXMMQ-DEDYPNTBSA-N
XLogP3.10
TPSA75.58 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

[(Z)-(2,4-dimethoxyphenyl)methylideneamino] 3-cyclohex-2-en-1-yloxypropanoate
CID 10735395
[(2,4,6-trimethoxyphenyl)methylideneamino] cyclopropanecarboxylate
CID 85273118
(Z)-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-(2,4,6-trimethoxyphenyl)methanimine
CID 9012658
3-[(2E)-cyclooct-2-en-1-yl]oxypropanehydrazide
CID 155273444
(Z)-N-propan-2-yloxy-1-(2,4,6-trimethoxyphenyl)methanimine
CID 10562827
cyclohex-2-en-1-yl propanoate
CID 10986464
cyclohex-2-en-1-yl 3-methylbutanoate
CID 3016266
(NE)-N-[(2,4,6-trimethoxyphenyl)methylidene]sulfamoyl fluoride
CID 163366457
(3-bromo-4-cyclohex-2-en-1-yloxy-5-methoxyphenyl)methanol
CID 114620145
3-[(E)-4,4-dimethoxybut-2-enoxy]cyclohexene
CID 10656178
1-cyclohexyl-2-(2,4,6-trimethoxyphenyl)ethanone
CID 102278898
2-[(2Z)-cyclooct-2-en-1-yl]oxy-N-methylacetamide
CID 167046429

Frequently Asked Questions

What is the IUPAC name of [(E)-(2,4,6-trimethoxyphenyl)methylideneamino] 3-cyclohex-2-en-1-yloxypropanoate?
The IUPAC name of [(E)-(2,4,6-trimethoxyphenyl)methylideneamino] 3-cyclohex-2-en-1-yloxypropanoate (CID 177423120) is [(E)-(2,4,6-trimethoxyphenyl)methylideneamino] 3-cyclohex-2-en-1-yloxypropanoate.
What is the SMILES notation for [(E)-(2,4,6-trimethoxyphenyl)methylideneamino] 3-cyclohex-2-en-1-yloxypropanoate?
The canonical SMILES for [(E)-(2,4,6-trimethoxyphenyl)methylideneamino] 3-cyclohex-2-en-1-yloxypropanoate is COc1cc(OC)c(/C=N/OC(=O)CCOC2C=CCCC2)c(OC)c1.
What is the InChIKey of [(E)-(2,4,6-trimethoxyphenyl)methylideneamino] 3-cyclohex-2-en-1-yloxypropanoate?
The InChIKey is HQDZZMZZUGXMMQ-DEDYPNTBSA-N. The full InChI is InChI=1S/C19H25NO6/c1-22-15-11-17(23-2)16(18(12-15)24-3)13-20-26-19(21)9-10-25-14-7-5-4-6-8-14/h5,7,11-14H,4,6,8-10H2,1-3H3/b20-13+.
What are the key properties of [(E)-(2,4,6-trimethoxyphenyl)methylideneamino] 3-cyclohex-2-en-1-yloxypropanoate?
[(E)-(2,4,6-trimethoxyphenyl)methylideneamino] 3-cyclohex-2-en-1-yloxypropanoate has a molecular weight of 363.41 g/mol, XLogP of 3.10, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-(2,4,6-trimethoxyphenyl)methylideneamino] 3-cyclohex-2-en-1-yloxypropanoate is sourced from PubChem (CID 177423120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).