6-hydroxy-4-[2-[4-[[4-[[4-[[4-[2-(2-oxomorpholin-4-yl)ethyl]phenyl]methyl]phenyl]methyl]phenyl]methyl]phenyl]ethyl]morpholin-2-one

C39H42N2O5 — CID 163580616

IUPAC6-hydroxy-4-[2-[4-[[4-[[4-[[4-[2-(2-oxomorpholin-4-yl)ethyl]phenyl]methyl]phenyl]methyl]phenyl]methyl]phenyl]ethyl]morpholin-2-one
SMILESO=C1CN(CCc2ccc(Cc3ccc(Cc4ccc(Cc5ccc(CCN6CC(=O)OC(O)C6)cc5)cc4)cc3)cc2)CCO1
InChIInChI=1S/C39H42N2O5/c42-37-26-40(21-22-45-37)19-17-29-1-5-31(6-2-29)23-33-9-13-35(14-10-33)25-36-15-11-34(12-16-36)24-32-7-3-30(4-8-32)18-20-41-27-38(43)46-39(44)28-41/h1-16,38,43H,17-28H2
InChIKeyGHGFJHJFQFNCJA-UHFFFAOYSA-N
MW618.77 g/mol
LogP4.58
Rot. Bonds12

About 6-hydroxy-4-[2-[4-[[4-[[4-[[4-[2-(2-oxomorpholin-4-yl)ethyl]phenyl]methyl]phenyl]methyl]phenyl]methyl]phenyl]ethyl]morpholin-2-one

6-hydroxy-4-[2-[4-[[4-[[4-[[4-[2-(2-oxomorpholin-4-yl)ethyl]phenyl]methyl]phenyl]methyl]phenyl]methyl]phenyl]ethyl]morpholin-2-one (PubChem CID 163580616) has the molecular formula C39H42N2O5 and a molecular weight of 618.77 g/mol. Its IUPAC name is 6-hydroxy-4-[2-[4-[[4-[[4-[[4-[2-(2-oxomorpholin-4-yl)ethyl]phenyl]methyl]phenyl]methyl]phenyl]methyl]phenyl]ethyl]morpholin-2-one.

Molecular Properties

Compound Name6-hydroxy-4-[2-[4-[[4-[[4-[[4-[2-(2-oxomorpholin-4-yl)ethyl]phenyl]methyl]phenyl]methyl]phenyl]methyl]phenyl]ethyl]morpholin-2-one
PubChem CID163580616
Molecular FormulaC39H42N2O5
Molecular Weight618.77 g/mol
Exact Mass618.31
IUPAC Name6-hydroxy-4-[2-[4-[[4-[[4-[[4-[2-(2-oxomorpholin-4-yl)ethyl]phenyl]methyl]phenyl]methyl]phenyl]methyl]phenyl]ethyl]morpholin-2-one
SMILESO=C1CN(CCc2ccc(Cc3ccc(Cc4ccc(Cc5ccc(CCN6CC(=O)OC(O)C6)cc5)cc4)cc3)cc2)CCO1
InChIInChI=1S/C39H42N2O5/c42-37-26-40(21-22-45-37)19-17-29-1-5-31(6-2-29)23-33-9-13-35(14-10-33)25-36-15-11-34(12-16-36)24-32-7-3-30(4-8-32)18-20-41-27-38(43)46-39(44)28-41/h1-16,38,43H,17-28H2
InChIKeyGHGFJHJFQFNCJA-UHFFFAOYSA-N
XLogP4.58
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500618.77
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[2-(2-hydroxy-6-oxomorpholin-4-yl)ethyl]morpholine-2,6-dione
CID 126488910
4-[2-(4-methoxyphenyl)ethyl]morpholine-2,6-dione
CID 55237705
1-[[4-(2-phenylethyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperidine-3-carboxamide
CID 45166002
4-[2-(4-fluorophenyl)ethyl]morpholine
CID 100965302
2-[4-(2-phenylethyl)morpholin-2-yl]acetic acid
CID 66436018
3-[4-(2-hydroxyethyl)phenyl]-1,3-oxazolidin-2-one
CID 23020757
1-[2-(4-aminophenyl)ethyl]pyrrolidin-3-ol
CID 62941498
(3S)-1-[2-(4-methylphenyl)ethyl]pyrrolidin-3-ol
CID 111434356
3-[2-(4-aminophenyl)ethyl]-1,3-oxazolidin-2-one
CID 10703476
(3S,5R)-1-[2-[4-(oxan-4-yloxy)phenyl]ethyl]piperidine-3,4,5-triol
CID 166834263
N-methyl-4-[4-(2-morpholin-4-ylethyl)phenyl]benzamide
CID 71133573
7-methyl-4-(2-phenylethyl)-3,5-dihydro-2H-1,4-benzoxazepine
CID 20706253

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-4-[2-[4-[[4-[[4-[[4-[2-(2-oxomorpholin-4-yl)ethyl]phenyl]methyl]phenyl]methyl]phenyl]methyl]phenyl]ethyl]morpholin-2-one?
The IUPAC name of 6-hydroxy-4-[2-[4-[[4-[[4-[[4-[2-(2-oxomorpholin-4-yl)ethyl]phenyl]methyl]phenyl]methyl]phenyl]methyl]phenyl]ethyl]morpholin-2-one (CID 163580616) is 6-hydroxy-4-[2-[4-[[4-[[4-[[4-[2-(2-oxomorpholin-4-yl)ethyl]phenyl]methyl]phenyl]methyl]phenyl]methyl]phenyl]ethyl]morpholin-2-one.
What is the SMILES notation for 6-hydroxy-4-[2-[4-[[4-[[4-[[4-[2-(2-oxomorpholin-4-yl)ethyl]phenyl]methyl]phenyl]methyl]phenyl]methyl]phenyl]ethyl]morpholin-2-one?
The canonical SMILES for 6-hydroxy-4-[2-[4-[[4-[[4-[[4-[2-(2-oxomorpholin-4-yl)ethyl]phenyl]methyl]phenyl]methyl]phenyl]methyl]phenyl]ethyl]morpholin-2-one is O=C1CN(CCc2ccc(Cc3ccc(Cc4ccc(Cc5ccc(CCN6CC(=O)OC(O)C6)cc5)cc4)cc3)cc2)CCO1.
What is the InChIKey of 6-hydroxy-4-[2-[4-[[4-[[4-[[4-[2-(2-oxomorpholin-4-yl)ethyl]phenyl]methyl]phenyl]methyl]phenyl]methyl]phenyl]ethyl]morpholin-2-one?
The InChIKey is GHGFJHJFQFNCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H42N2O5/c42-37-26-40(21-22-45-37)19-17-29-1-5-31(6-2-29)23-33-9-13-35(14-10-33)25-36-15-11-34(12-16-36)24-32-7-3-30(4-8-32)18-20-41-27-38(43)46-39(44)28-41/h1-16,38,43H,17-28H2.
What are the key properties of 6-hydroxy-4-[2-[4-[[4-[[4-[[4-[2-(2-oxomorpholin-4-yl)ethyl]phenyl]methyl]phenyl]methyl]phenyl]methyl]phenyl]ethyl]morpholin-2-one?
6-hydroxy-4-[2-[4-[[4-[[4-[[4-[2-(2-oxomorpholin-4-yl)ethyl]phenyl]methyl]phenyl]methyl]phenyl]methyl]phenyl]ethyl]morpholin-2-one has a molecular weight of 618.77 g/mol, XLogP of 4.58, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-4-[2-[4-[[4-[[4-[[4-[2-(2-oxomorpholin-4-yl)ethyl]phenyl]methyl]phenyl]methyl]phenyl]methyl]phenyl]ethyl]morpholin-2-one is sourced from PubChem (CID 163580616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).