4-benzyl-2-[hydroxy(phenyl)methyl]morpholin-3-one;ethane

C20H25NO3 — CID 142864924

IUPAC4-benzyl-2-[hydroxy(phenyl)methyl]morpholin-3-one;ethane
SMILESCC.O=C1C(C(O)c2ccccc2)OCCN1Cc1ccccc1
InChIInChI=1S/C18H19NO3.C2H6/c20-16(15-9-5-2-6-10-15)17-18(21)19(11-12-22-17)13-14-7-3-1-4-8-14;1-2/h1-10,16-17,20H,11-13H2;1-2H3
InChIKeyAJWYZEOGVFBZPE-UHFFFAOYSA-N
MW327.42 g/mol
LogP3.17
Rot. Bonds4

About 4-benzyl-2-[hydroxy(phenyl)methyl]morpholin-3-one;ethane

4-benzyl-2-[hydroxy(phenyl)methyl]morpholin-3-one;ethane (PubChem CID 142864924) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is 4-benzyl-2-[hydroxy(phenyl)methyl]morpholin-3-one;ethane.

Molecular Properties

Compound Name4-benzyl-2-[hydroxy(phenyl)methyl]morpholin-3-one;ethane
PubChem CID142864924
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name4-benzyl-2-[hydroxy(phenyl)methyl]morpholin-3-one;ethane
SMILESCC.O=C1C(C(O)c2ccccc2)OCCN1Cc1ccccc1
InChIInChI=1S/C18H19NO3.C2H6/c20-16(15-9-5-2-6-10-15)17-18(21)19(11-12-22-17)13-14-7-3-1-4-8-14;1-2/h1-10,16-17,20H,11-13H2;1-2H3
InChIKeyAJWYZEOGVFBZPE-UHFFFAOYSA-N
XLogP3.17
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-benzyl-3-[(S)-hydroxy(phenyl)methyl]piperidin-2-one
CID 166440267
tert-butyl 4-benzyl-3-oxomorpholine-2-carboxylate
CID 15649498
(R)-[(2R)-4-benzylmorpholin-2-yl]-phenylmethanol
CID 58997974
(R)-[(2S)-4-benzylmorpholin-2-yl]-phenylmethanol
CID 58997973
4-benzyl-2-[(4-methylphenyl)methyl]morpholin-3-one
CID 142864915
2-[(2S)-4-benzyl-3-oxomorpholin-2-yl]-N-(4-fluorophenyl)acetamide
CID 941057
[(2R)-4-benzylmorpholin-2-yl]-(4-fluorophenyl)methanol
CID 69431465
(3R)-3-amino-1-benzylpyrrolidin-2-one
CID 11128028
3-amino-1-benzylpyrrolidin-2-one
CID 47002372
(3S)-1-benzyl-3-(3-methylbutanoyl)pyrrolidin-2-one
CID 67492991
(5S,7Z)-5-[(R)-hydroxy(phenyl)methyl]-8-methyl-2,3-dihydro-1,4-dioxocin-6-one
CID 11195983
1-benzyl-3-(2-oxopropyl)pyrrolidin-2-one
CID 59305555

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-[hydroxy(phenyl)methyl]morpholin-3-one;ethane?
The IUPAC name of 4-benzyl-2-[hydroxy(phenyl)methyl]morpholin-3-one;ethane (CID 142864924) is 4-benzyl-2-[hydroxy(phenyl)methyl]morpholin-3-one;ethane.
What is the SMILES notation for 4-benzyl-2-[hydroxy(phenyl)methyl]morpholin-3-one;ethane?
The canonical SMILES for 4-benzyl-2-[hydroxy(phenyl)methyl]morpholin-3-one;ethane is CC.O=C1C(C(O)c2ccccc2)OCCN1Cc1ccccc1.
What is the InChIKey of 4-benzyl-2-[hydroxy(phenyl)methyl]morpholin-3-one;ethane?
The InChIKey is AJWYZEOGVFBZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3.C2H6/c20-16(15-9-5-2-6-10-15)17-18(21)19(11-12-22-17)13-14-7-3-1-4-8-14;1-2/h1-10,16-17,20H,11-13H2;1-2H3.
What are the key properties of 4-benzyl-2-[hydroxy(phenyl)methyl]morpholin-3-one;ethane?
4-benzyl-2-[hydroxy(phenyl)methyl]morpholin-3-one;ethane has a molecular weight of 327.42 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-[hydroxy(phenyl)methyl]morpholin-3-one;ethane is sourced from PubChem (CID 142864924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).