(2R,5R)-2-(3-hydroxypropyl)-4-[(4-methoxyphenyl)methyl]-2,5-dimethylmorpholin-3-one

C17H25NO4 — CID 147394084

IUPAC(2R,5R)-2-(3-hydroxypropyl)-4-[(4-methoxyphenyl)methyl]-2,5-dimethylmorpholin-3-one
SMILESCOc1ccc(CN2C(=O)[C@@](C)(CCCO)OC[C@H]2C)cc1
InChIInChI=1S/C17H25NO4/c1-13-12-22-17(2,9-4-10-19)16(20)18(13)11-14-5-7-15(21-3)8-6-14/h5-8,13,19H,4,9-12H2,1-3H3/t13-,17-/m1/s1
InChIKeyDNLLRPYUDFXQJW-CXAGYDPISA-N
MW307.39 g/mol
LogP1.97
Rot. Bonds6

About (2R,5R)-2-(3-hydroxypropyl)-4-[(4-methoxyphenyl)methyl]-2,5-dimethylmorpholin-3-one

(2R,5R)-2-(3-hydroxypropyl)-4-[(4-methoxyphenyl)methyl]-2,5-dimethylmorpholin-3-one (PubChem CID 147394084) has the molecular formula C17H25NO4 and a molecular weight of 307.39 g/mol. Its IUPAC name is (2R,5R)-2-(3-hydroxypropyl)-4-[(4-methoxyphenyl)methyl]-2,5-dimethylmorpholin-3-one.

Molecular Properties

Compound Name(2R,5R)-2-(3-hydroxypropyl)-4-[(4-methoxyphenyl)methyl]-2,5-dimethylmorpholin-3-one
PubChem CID147394084
Molecular FormulaC17H25NO4
Molecular Weight307.39 g/mol
Exact Mass307.18
IUPAC Name(2R,5R)-2-(3-hydroxypropyl)-4-[(4-methoxyphenyl)methyl]-2,5-dimethylmorpholin-3-one
SMILESCOc1ccc(CN2C(=O)[C@@](C)(CCCO)OC[C@H]2C)cc1
InChIInChI=1S/C17H25NO4/c1-13-12-22-17(2,9-4-10-19)16(20)18(13)11-14-5-7-15(21-3)8-6-14/h5-8,13,19H,4,9-12H2,1-3H3/t13-,17-/m1/s1
InChIKeyDNLLRPYUDFXQJW-CXAGYDPISA-N
XLogP1.97
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,5R)-2-[3-(tert-butyl-methyl-propyl-λ4-sulfanyl)oxypropyl]-5-cyclohexyl-4-[(4-methoxyphenyl)methyl]-2-methylmorpholin-3-one
CID 163920851
4-(2-hydroxyethyl)-1-[(4-methoxyphenyl)methyl]azetidin-2-one
CID 23254565
4-[(E)-3-chloroprop-1-enyl]-1-[(4-methoxyphenyl)methyl]-3,3-dimethylazetidin-2-one
CID 101431278
2-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-5-methyl-1,3-oxazolidin-4-one
CID 13095133
(4S)-3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxylic acid
CID 96663913
(3S)-6-hydroxy-1-[(4-methoxyphenyl)methyl]-3-methylpiperidin-2-one
CID 139805560
4-(1-hydroxyethyl)-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-2-one
CID 146157496
(4R)-4-[(1R)-1-hydroxyethyl]-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-2-one
CID 90423794
1-[(4-methoxyphenyl)methyl]-2,6-dimethylpiperidin-4-one
CID 134307745
8-benzyl-9-[(4-methoxyphenyl)methyl]-6-oxa-9-azaspiro[4.5]decan-10-one
CID 23243460
3-(3-hydroxypropyl)-2-[(4-methoxyphenyl)methyl]-3H-isoindol-1-one
CID 67482667
(5R)-5-hydroxy-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
CID 124629774

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-2-(3-hydroxypropyl)-4-[(4-methoxyphenyl)methyl]-2,5-dimethylmorpholin-3-one?
The IUPAC name of (2R,5R)-2-(3-hydroxypropyl)-4-[(4-methoxyphenyl)methyl]-2,5-dimethylmorpholin-3-one (CID 147394084) is (2R,5R)-2-(3-hydroxypropyl)-4-[(4-methoxyphenyl)methyl]-2,5-dimethylmorpholin-3-one.
What is the SMILES notation for (2R,5R)-2-(3-hydroxypropyl)-4-[(4-methoxyphenyl)methyl]-2,5-dimethylmorpholin-3-one?
The canonical SMILES for (2R,5R)-2-(3-hydroxypropyl)-4-[(4-methoxyphenyl)methyl]-2,5-dimethylmorpholin-3-one is COc1ccc(CN2C(=O)[C@@](C)(CCCO)OC[C@H]2C)cc1.
What is the InChIKey of (2R,5R)-2-(3-hydroxypropyl)-4-[(4-methoxyphenyl)methyl]-2,5-dimethylmorpholin-3-one?
The InChIKey is DNLLRPYUDFXQJW-CXAGYDPISA-N. The full InChI is InChI=1S/C17H25NO4/c1-13-12-22-17(2,9-4-10-19)16(20)18(13)11-14-5-7-15(21-3)8-6-14/h5-8,13,19H,4,9-12H2,1-3H3/t13-,17-/m1/s1.
What are the key properties of (2R,5R)-2-(3-hydroxypropyl)-4-[(4-methoxyphenyl)methyl]-2,5-dimethylmorpholin-3-one?
(2R,5R)-2-(3-hydroxypropyl)-4-[(4-methoxyphenyl)methyl]-2,5-dimethylmorpholin-3-one has a molecular weight of 307.39 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-2-(3-hydroxypropyl)-4-[(4-methoxyphenyl)methyl]-2,5-dimethylmorpholin-3-one is sourced from PubChem (CID 147394084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).