(6R)-4-tert-butyl-6-(4-phenylmethoxyphenyl)morpholin-3-one

C21H25NO3 — CID 67352063

IUPAC(6R)-4-tert-butyl-6-(4-phenylmethoxyphenyl)morpholin-3-one
SMILESCC(C)(C)N1C[C@@H](c2ccc(OCc3ccccc3)cc2)OCC1=O
InChIInChI=1S/C21H25NO3/c1-21(2,3)22-13-19(25-15-20(22)23)17-9-11-18(12-10-17)24-14-16-7-5-4-6-8-16/h4-12,19H,13-15H2,1-3H3/t19-/m0/s1
InChIKeyDZVCDMUTLVFITR-IBGZPJMESA-N
MW339.44 g/mol
LogP3.96
Rot. Bonds4

About (6R)-4-tert-butyl-6-(4-phenylmethoxyphenyl)morpholin-3-one

(6R)-4-tert-butyl-6-(4-phenylmethoxyphenyl)morpholin-3-one (PubChem CID 67352063) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is (6R)-4-tert-butyl-6-(4-phenylmethoxyphenyl)morpholin-3-one.

Molecular Properties

Compound Name(6R)-4-tert-butyl-6-(4-phenylmethoxyphenyl)morpholin-3-one
PubChem CID67352063
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC Name(6R)-4-tert-butyl-6-(4-phenylmethoxyphenyl)morpholin-3-one
SMILESCC(C)(C)N1C[C@@H](c2ccc(OCc3ccccc3)cc2)OCC1=O
InChIInChI=1S/C21H25NO3/c1-21(2,3)22-13-19(25-15-20(22)23)17-9-11-18(12-10-17)24-14-16-7-5-4-6-8-16/h4-12,19H,13-15H2,1-3H3/t19-/m0/s1
InChIKeyDZVCDMUTLVFITR-IBGZPJMESA-N
XLogP3.96
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(6R)-4-ethyl-6-(4-phenylmethoxyphenyl)morpholin-3-one
CID 67354065
(6S)-6-(4-bromophenyl)-4-tert-butylmorpholin-3-one
CID 67353763
(6S)-4-tert-butyl-6-(4-nitrophenyl)morpholin-3-one
CID 67351700
(2R)-2-(4-phenylmethoxyphenyl)morpholine-4-carboxylic acid
CID 68617082
(2S)-4-[(4-methoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)morpholine
CID 67352433
6-amino-4-(4-phenylmethoxyphenyl)morpholin-3-one
CID 141321137
4-benzyl-6-(4-phenylmethoxyphenyl)morpholine-3-carbaldehyde
CID 174661002
6-(4-chlorophenyl)-N-(4-phenylmethoxyphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
CID 91889743
2-(4-phenylmethoxyphenyl)-2,3-dihydropyran-6-one
CID 56668686
(2,2,2-trifluoroacetyl) 3-[2-(4-phenylmethoxyphenyl)morpholin-4-yl]propanoate
CID 87243620
(2R)-4-[(2,4-dimethoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)morpholine
CID 67352745
4-(4-phenylmethoxyphenyl)morpholine-3,5-dione
CID 23821636

Frequently Asked Questions

What is the IUPAC name of (6R)-4-tert-butyl-6-(4-phenylmethoxyphenyl)morpholin-3-one?
The IUPAC name of (6R)-4-tert-butyl-6-(4-phenylmethoxyphenyl)morpholin-3-one (CID 67352063) is (6R)-4-tert-butyl-6-(4-phenylmethoxyphenyl)morpholin-3-one.
What is the SMILES notation for (6R)-4-tert-butyl-6-(4-phenylmethoxyphenyl)morpholin-3-one?
The canonical SMILES for (6R)-4-tert-butyl-6-(4-phenylmethoxyphenyl)morpholin-3-one is CC(C)(C)N1C[C@@H](c2ccc(OCc3ccccc3)cc2)OCC1=O.
What is the InChIKey of (6R)-4-tert-butyl-6-(4-phenylmethoxyphenyl)morpholin-3-one?
The InChIKey is DZVCDMUTLVFITR-IBGZPJMESA-N. The full InChI is InChI=1S/C21H25NO3/c1-21(2,3)22-13-19(25-15-20(22)23)17-9-11-18(12-10-17)24-14-16-7-5-4-6-8-16/h4-12,19H,13-15H2,1-3H3/t19-/m0/s1.
What are the key properties of (6R)-4-tert-butyl-6-(4-phenylmethoxyphenyl)morpholin-3-one?
(6R)-4-tert-butyl-6-(4-phenylmethoxyphenyl)morpholin-3-one has a molecular weight of 339.44 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-4-tert-butyl-6-(4-phenylmethoxyphenyl)morpholin-3-one is sourced from PubChem (CID 67352063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).