[(Z)-(2-morpholin-4-ylcyclohexylidene)-phenylmethyl] benzoate

C24H27NO3 — CID 6027187

IUPAC[(Z)-(2-morpholin-4-ylcyclohexylidene)-phenylmethyl] benzoate
SMILESO=C(O/C(=C1/CCCCC1N1CCOCC1)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H27NO3/c26-24(20-11-5-2-6-12-20)28-23(19-9-3-1-4-10-19)21-13-7-8-14-22(21)25-15-17-27-18-16-25/h1-6,9-12,22H,7-8,13-18H2/b23-21-
InChIKeyFTUJSFRVSGWROP-LNVKXUELSA-N
MW377.48 g/mol
LogP4.53
Rot. Bonds4

About [(Z)-(2-morpholin-4-ylcyclohexylidene)-phenylmethyl] benzoate

[(Z)-(2-morpholin-4-ylcyclohexylidene)-phenylmethyl] benzoate (PubChem CID 6027187) has the molecular formula C24H27NO3 and a molecular weight of 377.48 g/mol. Its IUPAC name is [(Z)-(2-morpholin-4-ylcyclohexylidene)-phenylmethyl] benzoate.

Molecular Properties

Compound Name[(Z)-(2-morpholin-4-ylcyclohexylidene)-phenylmethyl] benzoate
PubChem CID6027187
Molecular FormulaC24H27NO3
Molecular Weight377.48 g/mol
Exact Mass377.20
IUPAC Name[(Z)-(2-morpholin-4-ylcyclohexylidene)-phenylmethyl] benzoate
SMILESO=C(O/C(=C1/CCCCC1N1CCOCC1)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H27NO3/c26-24(20-11-5-2-6-12-20)28-23(19-9-3-1-4-10-19)21-13-7-8-14-22(21)25-15-17-27-18-16-25/h1-6,9-12,22H,7-8,13-18H2/b23-21-
InChIKeyFTUJSFRVSGWROP-LNVKXUELSA-N
XLogP4.53
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.48
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(Z)-(2-morpholin-4-ylcyclohexylidene)-phenylmethyl] benzoate?
The IUPAC name of [(Z)-(2-morpholin-4-ylcyclohexylidene)-phenylmethyl] benzoate (CID 6027187) is [(Z)-(2-morpholin-4-ylcyclohexylidene)-phenylmethyl] benzoate.
What is the SMILES notation for [(Z)-(2-morpholin-4-ylcyclohexylidene)-phenylmethyl] benzoate?
The canonical SMILES for [(Z)-(2-morpholin-4-ylcyclohexylidene)-phenylmethyl] benzoate is O=C(O/C(=C1/CCCCC1N1CCOCC1)c1ccccc1)c1ccccc1.
What is the InChIKey of [(Z)-(2-morpholin-4-ylcyclohexylidene)-phenylmethyl] benzoate?
The InChIKey is FTUJSFRVSGWROP-LNVKXUELSA-N. The full InChI is InChI=1S/C24H27NO3/c26-24(20-11-5-2-6-12-20)28-23(19-9-3-1-4-10-19)21-13-7-8-14-22(21)25-15-17-27-18-16-25/h1-6,9-12,22H,7-8,13-18H2/b23-21-.
What are the key properties of [(Z)-(2-morpholin-4-ylcyclohexylidene)-phenylmethyl] benzoate?
[(Z)-(2-morpholin-4-ylcyclohexylidene)-phenylmethyl] benzoate has a molecular weight of 377.48 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-(2-morpholin-4-ylcyclohexylidene)-phenylmethyl] benzoate is sourced from PubChem (CID 6027187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).