4-hydroxy-3-[2-morpholin-4-ylethoxy(phenyl)methyl]-6-phenyl-6-(2-phenylethyl)-3-propan-2-yloxan-2-one

C35H43NO5 — CID 67557428

IUPAC4-hydroxy-3-[2-morpholin-4-ylethoxy(phenyl)methyl]-6-phenyl-6-(2-phenylethyl)-3-propan-2-yloxan-2-one
SMILESCC(C)C1(C(OCCN2CCOCC2)c2ccccc2)C(=O)OC(CCc2ccccc2)(c2ccccc2)CC1O
InChIInChI=1S/C35H43NO5/c1-27(2)35(32(29-14-8-4-9-15-29)40-25-22-36-20-23-39-24-21-36)31(37)26-34(41-33(35)38,30-16-10-5-11-17-30)19-18-28-12-6-3-7-13-28/h3-17,27,31-32,37H,18-26H2,1-2H3
InChIKeyUMQUPQJERUTHPN-UHFFFAOYSA-N
MW557.73 g/mol
LogP5.55
Rot. Bonds11

About 4-hydroxy-3-[2-morpholin-4-ylethoxy(phenyl)methyl]-6-phenyl-6-(2-phenylethyl)-3-propan-2-yloxan-2-one

4-hydroxy-3-[2-morpholin-4-ylethoxy(phenyl)methyl]-6-phenyl-6-(2-phenylethyl)-3-propan-2-yloxan-2-one (PubChem CID 67557428) has the molecular formula C35H43NO5 and a molecular weight of 557.73 g/mol. Its IUPAC name is 4-hydroxy-3-[2-morpholin-4-ylethoxy(phenyl)methyl]-6-phenyl-6-(2-phenylethyl)-3-propan-2-yloxan-2-one.

Molecular Properties

Compound Name4-hydroxy-3-[2-morpholin-4-ylethoxy(phenyl)methyl]-6-phenyl-6-(2-phenylethyl)-3-propan-2-yloxan-2-one
PubChem CID67557428
Molecular FormulaC35H43NO5
Molecular Weight557.73 g/mol
Exact Mass557.31
IUPAC Name4-hydroxy-3-[2-morpholin-4-ylethoxy(phenyl)methyl]-6-phenyl-6-(2-phenylethyl)-3-propan-2-yloxan-2-one
SMILESCC(C)C1(C(OCCN2CCOCC2)c2ccccc2)C(=O)OC(CCc2ccccc2)(c2ccccc2)CC1O
InChIInChI=1S/C35H43NO5/c1-27(2)35(32(29-14-8-4-9-15-29)40-25-22-36-20-23-39-24-21-36)31(37)26-34(41-33(35)38,30-16-10-5-11-17-30)19-18-28-12-6-3-7-13-28/h3-17,27,31-32,37H,18-26H2,1-2H3
InChIKeyUMQUPQJERUTHPN-UHFFFAOYSA-N
XLogP5.55
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.73
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-hydroxy-3-[2-morpholin-4-ylethoxy(phenyl)methyl]-6-phenyl-6-(2-phenylethyl)-3-propan-2-yloxan-2-one with MolForge

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Related Compounds

5-benzylsulfanyl-4-hydroxy-2-(2-morpholin-4-ylethyl)-2-phenyl-3H-pyran-6-one
CID 54721715
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CID 143698819
2-morpholin-4-ylethyl N-tert-butyl-N-(2-phenylethyl)carbamate
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2-morpholin-4-ylethyl 2-iodo-2-phenylacetate
CID 162508627
2-morpholin-4-ylethyl N-(2,2-diphenylacetyl)carbamate
CID 54336575
(2S)-2-amino-N-(2-morpholin-4-ylethyl)-4-phenylbutanamide
CID 104983793
1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 113073687
2-morpholin-4-ylethyl 2-phenylacetate
CID 797103
N-(2-morpholin-4-ylethyl)-4-phenyl-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 23600948
1-[3-(2-morpholin-4-ylethoxy)phenyl]ethanol
CID 43504270
(6R)-1-benzyl-4-(2-morpholin-4-ylethyl)-1,4-diazepan-6-ol
CID 97435614
N-benzhydryl-N-methyl-2-morpholin-4-ylethanamine;hydrochloride
CID 54600904

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-[2-morpholin-4-ylethoxy(phenyl)methyl]-6-phenyl-6-(2-phenylethyl)-3-propan-2-yloxan-2-one?
The IUPAC name of 4-hydroxy-3-[2-morpholin-4-ylethoxy(phenyl)methyl]-6-phenyl-6-(2-phenylethyl)-3-propan-2-yloxan-2-one (CID 67557428) is 4-hydroxy-3-[2-morpholin-4-ylethoxy(phenyl)methyl]-6-phenyl-6-(2-phenylethyl)-3-propan-2-yloxan-2-one.
What is the SMILES notation for 4-hydroxy-3-[2-morpholin-4-ylethoxy(phenyl)methyl]-6-phenyl-6-(2-phenylethyl)-3-propan-2-yloxan-2-one?
The canonical SMILES for 4-hydroxy-3-[2-morpholin-4-ylethoxy(phenyl)methyl]-6-phenyl-6-(2-phenylethyl)-3-propan-2-yloxan-2-one is CC(C)C1(C(OCCN2CCOCC2)c2ccccc2)C(=O)OC(CCc2ccccc2)(c2ccccc2)CC1O.
What is the InChIKey of 4-hydroxy-3-[2-morpholin-4-ylethoxy(phenyl)methyl]-6-phenyl-6-(2-phenylethyl)-3-propan-2-yloxan-2-one?
The InChIKey is UMQUPQJERUTHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H43NO5/c1-27(2)35(32(29-14-8-4-9-15-29)40-25-22-36-20-23-39-24-21-36)31(37)26-34(41-33(35)38,30-16-10-5-11-17-30)19-18-28-12-6-3-7-13-28/h3-17,27,31-32,37H,18-26H2,1-2H3.
What are the key properties of 4-hydroxy-3-[2-morpholin-4-ylethoxy(phenyl)methyl]-6-phenyl-6-(2-phenylethyl)-3-propan-2-yloxan-2-one?
4-hydroxy-3-[2-morpholin-4-ylethoxy(phenyl)methyl]-6-phenyl-6-(2-phenylethyl)-3-propan-2-yloxan-2-one has a molecular weight of 557.73 g/mol, XLogP of 5.55, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-[2-morpholin-4-ylethoxy(phenyl)methyl]-6-phenyl-6-(2-phenylethyl)-3-propan-2-yloxan-2-one is sourced from PubChem (CID 67557428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).