3-cyclohexylpropyl 2-morpholin-4-ylacetate

C15H27NO3 — CID 658399

IUPAC3-cyclohexylpropyl 2-morpholin-4-ylacetate
SMILESO=C(CN1CCOCC1)OCCCC1CCCCC1
InChIInChI=1S/C15H27NO3/c17-15(13-16-8-11-18-12-9-16)19-10-4-7-14-5-2-1-3-6-14/h14H,1-13H2
InChIKeyBGOWGGHOKYXHMA-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.22
Rot. Bonds6

About 3-cyclohexylpropyl 2-morpholin-4-ylacetate

3-cyclohexylpropyl 2-morpholin-4-ylacetate (PubChem CID 658399) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 3-cyclohexylpropyl 2-morpholin-4-ylacetate.

Molecular Properties

Compound Name3-cyclohexylpropyl 2-morpholin-4-ylacetate
PubChem CID658399
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name3-cyclohexylpropyl 2-morpholin-4-ylacetate
SMILESO=C(CN1CCOCC1)OCCCC1CCCCC1
InChIInChI=1S/C15H27NO3/c17-15(13-16-8-11-18-12-9-16)19-10-4-7-14-5-2-1-3-6-14/h14H,1-13H2
InChIKeyBGOWGGHOKYXHMA-UHFFFAOYSA-N
XLogP2.22
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexylpropyl 2-morpholin-4-ylacetate?
The IUPAC name of 3-cyclohexylpropyl 2-morpholin-4-ylacetate (CID 658399) is 3-cyclohexylpropyl 2-morpholin-4-ylacetate.
What is the SMILES notation for 3-cyclohexylpropyl 2-morpholin-4-ylacetate?
The canonical SMILES for 3-cyclohexylpropyl 2-morpholin-4-ylacetate is O=C(CN1CCOCC1)OCCCC1CCCCC1.
What is the InChIKey of 3-cyclohexylpropyl 2-morpholin-4-ylacetate?
The InChIKey is BGOWGGHOKYXHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c17-15(13-16-8-11-18-12-9-16)19-10-4-7-14-5-2-1-3-6-14/h14H,1-13H2.
What are the key properties of 3-cyclohexylpropyl 2-morpholin-4-ylacetate?
3-cyclohexylpropyl 2-morpholin-4-ylacetate has a molecular weight of 269.38 g/mol, XLogP of 2.22, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexylpropyl 2-morpholin-4-ylacetate is sourced from PubChem (CID 658399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).