4-[2-[(E)-2-naphthalen-1-ylhex-4-enoxy]ethyl]morpholine

C22H29NO2 — CID 6444484

IUPAC4-[2-[(E)-2-naphthalen-1-ylhex-4-enoxy]ethyl]morpholine
SMILESC/C=C/CC(COCCN1CCOCC1)c1cccc2ccccc12
InChIInChI=1S/C22H29NO2/c1-2-3-7-20(18-25-17-14-23-12-15-24-16-13-23)22-11-6-9-19-8-4-5-10-21(19)22/h2-6,8-11,20H,7,12-18H2,1H3/b3-2+
InChIKeyISNVCPFNGRBABO-NSCUHMNNSA-N
MW339.48 g/mol
LogP4.24
Rot. Bonds8

About 4-[2-[(E)-2-naphthalen-1-ylhex-4-enoxy]ethyl]morpholine

4-[2-[(E)-2-naphthalen-1-ylhex-4-enoxy]ethyl]morpholine (PubChem CID 6444484) has the molecular formula C22H29NO2 and a molecular weight of 339.48 g/mol. Its IUPAC name is 4-[2-[(E)-2-naphthalen-1-ylhex-4-enoxy]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[(E)-2-naphthalen-1-ylhex-4-enoxy]ethyl]morpholine
PubChem CID6444484
Molecular FormulaC22H29NO2
Molecular Weight339.48 g/mol
Exact Mass339.22
IUPAC Name4-[2-[(E)-2-naphthalen-1-ylhex-4-enoxy]ethyl]morpholine
SMILESC/C=C/CC(COCCN1CCOCC1)c1cccc2ccccc12
InChIInChI=1S/C22H29NO2/c1-2-3-7-20(18-25-17-14-23-12-15-24-16-13-23)22-11-6-9-19-8-4-5-10-21(19)22/h2-6,8-11,20H,7,12-18H2,1H3/b3-2+
InChIKeyISNVCPFNGRBABO-NSCUHMNNSA-N
XLogP4.24
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(E)-2-naphthalen-1-ylhex-4-enoxy]ethyl]morpholine?
The IUPAC name of 4-[2-[(E)-2-naphthalen-1-ylhex-4-enoxy]ethyl]morpholine (CID 6444484) is 4-[2-[(E)-2-naphthalen-1-ylhex-4-enoxy]ethyl]morpholine.
What is the SMILES notation for 4-[2-[(E)-2-naphthalen-1-ylhex-4-enoxy]ethyl]morpholine?
The canonical SMILES for 4-[2-[(E)-2-naphthalen-1-ylhex-4-enoxy]ethyl]morpholine is C/C=C/CC(COCCN1CCOCC1)c1cccc2ccccc12.
What is the InChIKey of 4-[2-[(E)-2-naphthalen-1-ylhex-4-enoxy]ethyl]morpholine?
The InChIKey is ISNVCPFNGRBABO-NSCUHMNNSA-N. The full InChI is InChI=1S/C22H29NO2/c1-2-3-7-20(18-25-17-14-23-12-15-24-16-13-23)22-11-6-9-19-8-4-5-10-21(19)22/h2-6,8-11,20H,7,12-18H2,1H3/b3-2+.
What are the key properties of 4-[2-[(E)-2-naphthalen-1-ylhex-4-enoxy]ethyl]morpholine?
4-[2-[(E)-2-naphthalen-1-ylhex-4-enoxy]ethyl]morpholine has a molecular weight of 339.48 g/mol, XLogP of 4.24, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(E)-2-naphthalen-1-ylhex-4-enoxy]ethyl]morpholine is sourced from PubChem (CID 6444484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).