2-[2-(6-methoxynaphthalen-2-yl)-3-methylmorpholin-4-yl]ethyl 2-(6-methoxynaphthalen-2-yl)propanoate

C32H35NO5 — CID 141129252

IUPAC2-[2-(6-methoxynaphthalen-2-yl)-3-methylmorpholin-4-yl]ethyl 2-(6-methoxynaphthalen-2-yl)propanoate
SMILESCOc1ccc2cc(C(C)C(=O)OCCN3CCOC(c4ccc5cc(OC)ccc5c4)C3C)ccc2c1
InChIInChI=1S/C32H35NO5/c1-21(23-5-6-26-19-29(35-3)11-9-24(26)17-23)32(34)38-16-14-33-13-15-37-31(22(33)2)28-8-7-27-20-30(36-4)12-10-25(27)18-28/h5-12,17-22,31H,13-16H2,1-4H3
InChIKeyUNWCNCZZEDSZKS-UHFFFAOYSA-N
MW513.63 g/mol
LogP6.12
Rot. Bonds8

About 2-[2-(6-methoxynaphthalen-2-yl)-3-methylmorpholin-4-yl]ethyl 2-(6-methoxynaphthalen-2-yl)propanoate

2-[2-(6-methoxynaphthalen-2-yl)-3-methylmorpholin-4-yl]ethyl 2-(6-methoxynaphthalen-2-yl)propanoate (PubChem CID 141129252) has the molecular formula C32H35NO5 and a molecular weight of 513.63 g/mol. Its IUPAC name is 2-[2-(6-methoxynaphthalen-2-yl)-3-methylmorpholin-4-yl]ethyl 2-(6-methoxynaphthalen-2-yl)propanoate.

Molecular Properties

Compound Name2-[2-(6-methoxynaphthalen-2-yl)-3-methylmorpholin-4-yl]ethyl 2-(6-methoxynaphthalen-2-yl)propanoate
PubChem CID141129252
Molecular FormulaC32H35NO5
Molecular Weight513.63 g/mol
Exact Mass513.25
IUPAC Name2-[2-(6-methoxynaphthalen-2-yl)-3-methylmorpholin-4-yl]ethyl 2-(6-methoxynaphthalen-2-yl)propanoate
SMILESCOc1ccc2cc(C(C)C(=O)OCCN3CCOC(c4ccc5cc(OC)ccc5c4)C3C)ccc2c1
InChIInChI=1S/C32H35NO5/c1-21(23-5-6-26-19-29(35-3)11-9-24(26)17-23)32(34)38-16-14-33-13-15-37-31(22(33)2)28-8-7-27-20-30(36-4)12-10-25(27)18-28/h5-12,17-22,31H,13-16H2,1-4H3
InChIKeyUNWCNCZZEDSZKS-UHFFFAOYSA-N
XLogP6.12
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.63
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(3-chlorophenyl)-3-methylmorpholin-4-yl]ethyl 2-[4-(2-methylpropyl)phenyl]propanoate;hydrochloride
CID 141298282
2-methoxyethyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 101261822
propyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 102378352
butyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 54393649
2-(4-butanoylpiperazin-1-yl)ethyl 2-(6-methoxynaphthalen-2-yl)propanoate
CID 13458859
2-(4-butanoylpiperazin-1-yl)ethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 71300845
methanesulfonic acid;2-piperazin-1-ylethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 71300829
2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate;hydrochloride
CID 71300842
[4-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]oxymethyl]cyclohexyl]methyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 164936733
[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 8952003
heptyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 101261824
[2-(4-acetylpiperazin-1-yl)-2-oxoethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 8952106

Frequently Asked Questions

What is the IUPAC name of 2-[2-(6-methoxynaphthalen-2-yl)-3-methylmorpholin-4-yl]ethyl 2-(6-methoxynaphthalen-2-yl)propanoate?
The IUPAC name of 2-[2-(6-methoxynaphthalen-2-yl)-3-methylmorpholin-4-yl]ethyl 2-(6-methoxynaphthalen-2-yl)propanoate (CID 141129252) is 2-[2-(6-methoxynaphthalen-2-yl)-3-methylmorpholin-4-yl]ethyl 2-(6-methoxynaphthalen-2-yl)propanoate.
What is the SMILES notation for 2-[2-(6-methoxynaphthalen-2-yl)-3-methylmorpholin-4-yl]ethyl 2-(6-methoxynaphthalen-2-yl)propanoate?
The canonical SMILES for 2-[2-(6-methoxynaphthalen-2-yl)-3-methylmorpholin-4-yl]ethyl 2-(6-methoxynaphthalen-2-yl)propanoate is COc1ccc2cc(C(C)C(=O)OCCN3CCOC(c4ccc5cc(OC)ccc5c4)C3C)ccc2c1.
What is the InChIKey of 2-[2-(6-methoxynaphthalen-2-yl)-3-methylmorpholin-4-yl]ethyl 2-(6-methoxynaphthalen-2-yl)propanoate?
The InChIKey is UNWCNCZZEDSZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35NO5/c1-21(23-5-6-26-19-29(35-3)11-9-24(26)17-23)32(34)38-16-14-33-13-15-37-31(22(33)2)28-8-7-27-20-30(36-4)12-10-25(27)18-28/h5-12,17-22,31H,13-16H2,1-4H3.
What are the key properties of 2-[2-(6-methoxynaphthalen-2-yl)-3-methylmorpholin-4-yl]ethyl 2-(6-methoxynaphthalen-2-yl)propanoate?
2-[2-(6-methoxynaphthalen-2-yl)-3-methylmorpholin-4-yl]ethyl 2-(6-methoxynaphthalen-2-yl)propanoate has a molecular weight of 513.63 g/mol, XLogP of 6.12, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(6-methoxynaphthalen-2-yl)-3-methylmorpholin-4-yl]ethyl 2-(6-methoxynaphthalen-2-yl)propanoate is sourced from PubChem (CID 141129252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).