2-(2-morpholin-4-ylacetyl)oxyethyl 2-(6-methoxynaphthalen-2-yl)propanoate

C22H27NO6 — CID 10811046

IUPAC2-(2-morpholin-4-ylacetyl)oxyethyl 2-(6-methoxynaphthalen-2-yl)propanoate
SMILESCOc1ccc2cc(C(C)C(=O)OCCOC(=O)CN3CCOCC3)ccc2c1
InChIInChI=1S/C22H27NO6/c1-16(17-3-4-19-14-20(26-2)6-5-18(19)13-17)22(25)29-12-11-28-21(24)15-23-7-9-27-10-8-23/h3-6,13-14,16H,7-12,15H2,1-2H3
InChIKeyFFWGHEZSBSOVRZ-UHFFFAOYSA-N
MW401.46 g/mol
LogP2.37
Rot. Bonds8

About 2-(2-morpholin-4-ylacetyl)oxyethyl 2-(6-methoxynaphthalen-2-yl)propanoate

2-(2-morpholin-4-ylacetyl)oxyethyl 2-(6-methoxynaphthalen-2-yl)propanoate (PubChem CID 10811046) has the molecular formula C22H27NO6 and a molecular weight of 401.46 g/mol. Its IUPAC name is 2-(2-morpholin-4-ylacetyl)oxyethyl 2-(6-methoxynaphthalen-2-yl)propanoate.

Molecular Properties

Compound Name2-(2-morpholin-4-ylacetyl)oxyethyl 2-(6-methoxynaphthalen-2-yl)propanoate
PubChem CID10811046
Molecular FormulaC22H27NO6
Molecular Weight401.46 g/mol
Exact Mass401.18
IUPAC Name2-(2-morpholin-4-ylacetyl)oxyethyl 2-(6-methoxynaphthalen-2-yl)propanoate
SMILESCOc1ccc2cc(C(C)C(=O)OCCOC(=O)CN3CCOCC3)ccc2c1
InChIInChI=1S/C22H27NO6/c1-16(17-3-4-19-14-20(26-2)6-5-18(19)13-17)22(25)29-12-11-28-21(24)15-23-7-9-27-10-8-23/h3-6,13-14,16H,7-12,15H2,1-2H3
InChIKeyFFWGHEZSBSOVRZ-UHFFFAOYSA-N
XLogP2.37
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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 2-(2-morpholin-4-ylacetyl)oxyethyl 2-(6-methoxynaphthalen-2-yl)propanoate?
The IUPAC name of 2-(2-morpholin-4-ylacetyl)oxyethyl 2-(6-methoxynaphthalen-2-yl)propanoate (CID 10811046) is 2-(2-morpholin-4-ylacetyl)oxyethyl 2-(6-methoxynaphthalen-2-yl)propanoate.
What is the SMILES notation for 2-(2-morpholin-4-ylacetyl)oxyethyl 2-(6-methoxynaphthalen-2-yl)propanoate?
The canonical SMILES for 2-(2-morpholin-4-ylacetyl)oxyethyl 2-(6-methoxynaphthalen-2-yl)propanoate is COc1ccc2cc(C(C)C(=O)OCCOC(=O)CN3CCOCC3)ccc2c1.
What is the InChIKey of 2-(2-morpholin-4-ylacetyl)oxyethyl 2-(6-methoxynaphthalen-2-yl)propanoate?
The InChIKey is FFWGHEZSBSOVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO6/c1-16(17-3-4-19-14-20(26-2)6-5-18(19)13-17)22(25)29-12-11-28-21(24)15-23-7-9-27-10-8-23/h3-6,13-14,16H,7-12,15H2,1-2H3.
What are the key properties of 2-(2-morpholin-4-ylacetyl)oxyethyl 2-(6-methoxynaphthalen-2-yl)propanoate?
2-(2-morpholin-4-ylacetyl)oxyethyl 2-(6-methoxynaphthalen-2-yl)propanoate has a molecular weight of 401.46 g/mol, XLogP of 2.37, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-morpholin-4-ylacetyl)oxyethyl 2-(6-methoxynaphthalen-2-yl)propanoate is sourced from PubChem (CID 10811046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).