6-decyl-3-[[4-(2-hydroxydodecoxy)phenyl]methyl]-4-(2-hydroxydodecyl)morpholin-2-one;6-decyl-4-(2-hydroxydodecyl)-3-[(4-hydroxyphenyl)methyl]morpholin-2-one;methane

C80H146N2O9 — CID 161061669

IUPAC6-decyl-3-[[4-(2-hydroxydodecoxy)phenyl]methyl]-4-(2-hydroxydodecyl)morpholin-2-one;6-decyl-4-(2-hydroxydodecyl)-3-[(4-hydroxyphenyl)methyl]morpholin-2-one;methane
SMILESC.C.CCCCCCCCCCC(O)CN1CC(CCCCCCCCCC)OC(=O)C1Cc1ccc(O)cc1.CCCCCCCCCCC(O)COc1ccc(CC2C(=O)OC(CCCCCCCCCC)CN2CC(O)CCCCCCCCCC)cc1
InChIInChI=1S/C45H81NO5.C33H57NO4.2CH4/c1-4-7-10-13-16-19-22-25-28-40(47)36-46-37-43(30-27-24-21-18-15-12-9-6-3)51-45(49)44(46)35-39-31-33-42(34-32-39)50-38-41(48)29-26-23-20-17-14-11-8-5-2;1-3-5-7-9-11-13-15-17-19-30(36)26-34-27-31(20-18-16-14-12-10-8-6-4-2)38-33(37)32(34)25-28-21-23-29(35)24-22-28;;/h31-34,40-41,43-44,47-48H,4-30,35-38H2,1-3H3;21-24,30-32,35-36H,3-20,25-27H2,1-2H3;2*1H4
InChIKeyUDMBBGKVGQTMII-UHFFFAOYSA-N
MW1280.05 g/mol
LogP20.74
Rot. Bonds56

About 6-decyl-3-[[4-(2-hydroxydodecoxy)phenyl]methyl]-4-(2-hydroxydodecyl)morpholin-2-one;6-decyl-4-(2-hydroxydodecyl)-3-[(4-hydroxyphenyl)methyl]morpholin-2-one;methane

6-decyl-3-[[4-(2-hydroxydodecoxy)phenyl]methyl]-4-(2-hydroxydodecyl)morpholin-2-one;6-decyl-4-(2-hydroxydodecyl)-3-[(4-hydroxyphenyl)methyl]morpholin-2-one;methane (PubChem CID 161061669) has the molecular formula C80H146N2O9 and a molecular weight of 1280.05 g/mol. Its IUPAC name is 6-decyl-3-[[4-(2-hydroxydodecoxy)phenyl]methyl]-4-(2-hydroxydodecyl)morpholin-2-one;6-decyl-4-(2-hydroxydodecyl)-3-[(4-hydroxyphenyl)methyl]morpholin-2-one;methane.

Molecular Properties

Compound Name6-decyl-3-[[4-(2-hydroxydodecoxy)phenyl]methyl]-4-(2-hydroxydodecyl)morpholin-2-one;6-decyl-4-(2-hydroxydodecyl)-3-[(4-hydroxyphenyl)methyl]morpholin-2-one;methane
PubChem CID161061669
Molecular FormulaC80H146N2O9
Molecular Weight1280.05 g/mol
Exact Mass1279.10
IUPAC Name6-decyl-3-[[4-(2-hydroxydodecoxy)phenyl]methyl]-4-(2-hydroxydodecyl)morpholin-2-one;6-decyl-4-(2-hydroxydodecyl)-3-[(4-hydroxyphenyl)methyl]morpholin-2-one;methane
SMILESC.C.CCCCCCCCCCC(O)CN1CC(CCCCCCCCCC)OC(=O)C1Cc1ccc(O)cc1.CCCCCCCCCCC(O)COc1ccc(CC2C(=O)OC(CCCCCCCCCC)CN2CC(O)CCCCCCCCCC)cc1
InChIInChI=1S/C45H81NO5.C33H57NO4.2CH4/c1-4-7-10-13-16-19-22-25-28-40(47)36-46-37-43(30-27-24-21-18-15-12-9-6-3)51-45(49)44(46)35-39-31-33-42(34-32-39)50-38-41(48)29-26-23-20-17-14-11-8-5-2;1-3-5-7-9-11-13-15-17-19-30(36)26-34-27-31(20-18-16-14-12-10-8-6-4-2)38-33(37)32(34)25-28-21-23-29(35)24-22-28;;/h31-34,40-41,43-44,47-48H,4-30,35-38H2,1-3H3;21-24,30-32,35-36H,3-20,25-27H2,1-2H3;2*1H4
InChIKeyUDMBBGKVGQTMII-UHFFFAOYSA-N
XLogP20.74
TPSA149.23 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds56
Heavy Atoms91
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001280.05
LogP ≤ 520.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Related Compounds

(1r)-3-(3,4-Dimethoxyphenyl)-1-{3-[2-(Morpholin-4-Yl)ethoxy]phenyl}propyl (2s)-1-[(2s,3r)-2-Cyclohexyl-3-Hydroxybutanoyl]piperidine-2-Carboxylate
CID 91936975
2-ethoxy-3-(4-(2-(4-(4-methoxyphenyl)-5,6-dihydropyridin-1(2H)-yl)ethoxy)phenyl)propanoic acid
CID 44579289
2-ethoxy-3-(4-(2-(4-(4-ethylphenyl)-5,6-dihydropyridin-1(2H)-yl)ethoxy)phenyl)propanoic acid
CID 44579338
2-ethoxy-3-(4-(2-(4-(4-propylphenyl)-5,6-dihydropyridin-1(2H)-yl)ethoxy)phenyl)propanoic acid
CID 44579339
(2S)-2-[4-[[4-(4-fluoro-2-methylphenoxy)piperidin-1-yl]methyl]piperidin-1-yl]-3-(4-fluorophenyl)propanoic acid
CID 71451391
(2S)-2-[4-[[4-(4-fluoro-2-methylphenoxy)piperidin-1-yl]methyl]piperidin-1-yl]-3-(4-fluorophenyl)-2-methylpropanoic acid
CID 71456722
2-[[(2S)-4-methoxy-4-oxo-1-(4-phenylmethoxyphenyl)butan-2-yl]-methylamino]acetic acid
CID 117939815
2-[[(2S)-1-hydroxy-3-(4-phenylmethoxyphenyl)propan-2-yl]-methylamino]acetic acid
CID 117939825
[(1R)-3-(3,4-dimethoxyphenyl)-1-[3-(2-morpholin-4-ylethoxy)phenyl]propyl] (2S)-1-[(E,2S,3R)-2-cyclohexyl-3-hydroxyhex-4-enoyl]piperidine-2-carboxylate
CID 122192635
[(1R)-3-(3,4-dimethoxyphenyl)-1-[3-(2-morpholin-4-ylethoxy)phenyl]propyl] (2S)-1-[(2S,3R)-2-cyclohexyl-3-hydroxy-5-methylhexanoyl]piperidine-2-carboxylate
CID 122192638
PF 1163A
CID 489139
PF1163B
CID 489140

Frequently Asked Questions

What is the IUPAC name of 6-decyl-3-[[4-(2-hydroxydodecoxy)phenyl]methyl]-4-(2-hydroxydodecyl)morpholin-2-one;6-decyl-4-(2-hydroxydodecyl)-3-[(4-hydroxyphenyl)methyl]morpholin-2-one;methane?
The IUPAC name of 6-decyl-3-[[4-(2-hydroxydodecoxy)phenyl]methyl]-4-(2-hydroxydodecyl)morpholin-2-one;6-decyl-4-(2-hydroxydodecyl)-3-[(4-hydroxyphenyl)methyl]morpholin-2-one;methane (CID 161061669) is 6-decyl-3-[[4-(2-hydroxydodecoxy)phenyl]methyl]-4-(2-hydroxydodecyl)morpholin-2-one;6-decyl-4-(2-hydroxydodecyl)-3-[(4-hydroxyphenyl)methyl]morpholin-2-one;methane.
What is the SMILES notation for 6-decyl-3-[[4-(2-hydroxydodecoxy)phenyl]methyl]-4-(2-hydroxydodecyl)morpholin-2-one;6-decyl-4-(2-hydroxydodecyl)-3-[(4-hydroxyphenyl)methyl]morpholin-2-one;methane?
The canonical SMILES for 6-decyl-3-[[4-(2-hydroxydodecoxy)phenyl]methyl]-4-(2-hydroxydodecyl)morpholin-2-one;6-decyl-4-(2-hydroxydodecyl)-3-[(4-hydroxyphenyl)methyl]morpholin-2-one;methane is C.C.CCCCCCCCCCC(O)CN1CC(CCCCCCCCCC)OC(=O)C1Cc1ccc(O)cc1.CCCCCCCCCCC(O)COc1ccc(CC2C(=O)OC(CCCCCCCCCC)CN2CC(O)CCCCCCCCCC)cc1.
What is the InChIKey of 6-decyl-3-[[4-(2-hydroxydodecoxy)phenyl]methyl]-4-(2-hydroxydodecyl)morpholin-2-one;6-decyl-4-(2-hydroxydodecyl)-3-[(4-hydroxyphenyl)methyl]morpholin-2-one;methane?
The InChIKey is UDMBBGKVGQTMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H81NO5.C33H57NO4.2CH4/c1-4-7-10-13-16-19-22-25-28-40(47)36-46-37-43(30-27-24-21-18-15-12-9-6-3)51-45(49)44(46)35-39-31-33-42(34-32-39)50-38-41(48)29-26-23-20-17-14-11-8-5-2;1-3-5-7-9-11-13-15-17-19-30(36)26-34-27-31(20-18-16-14-12-10-8-6-4-2)38-33(37)32(34)25-28-21-23-29(35)24-22-28;;/h31-34,40-41,43-44,47-48H,4-30,35-38H2,1-3H3;21-24,30-32,35-36H,3-20,25-27H2,1-2H3;2*1H4.
What are the key properties of 6-decyl-3-[[4-(2-hydroxydodecoxy)phenyl]methyl]-4-(2-hydroxydodecyl)morpholin-2-one;6-decyl-4-(2-hydroxydodecyl)-3-[(4-hydroxyphenyl)methyl]morpholin-2-one;methane?
6-decyl-3-[[4-(2-hydroxydodecoxy)phenyl]methyl]-4-(2-hydroxydodecyl)morpholin-2-one;6-decyl-4-(2-hydroxydodecyl)-3-[(4-hydroxyphenyl)methyl]morpholin-2-one;methane has a molecular weight of 1280.05 g/mol, XLogP of 20.74, 56 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-decyl-3-[[4-(2-hydroxydodecoxy)phenyl]methyl]-4-(2-hydroxydodecyl)morpholin-2-one;6-decyl-4-(2-hydroxydodecyl)-3-[(4-hydroxyphenyl)methyl]morpholin-2-one;methane is sourced from PubChem (CID 161061669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).