5-methoxy-2-[(2R,5S)-5-methyl-2-(2-methylphenyl)morpholine-4-carbonyl]pyran-4-one

C19H21NO5 — CID 124873677

IUPAC5-methoxy-2-[(2R,5S)-5-methyl-2-(2-methylphenyl)morpholine-4-carbonyl]pyran-4-one
SMILESCOc1coc(C(=O)N2C[C@@H](c3ccccc3C)OC[C@@H]2C)cc1=O
InChIInChI=1S/C19H21NO5/c1-12-6-4-5-7-14(12)17-9-20(13(2)10-24-17)19(22)16-8-15(21)18(23-3)11-25-16/h4-8,11,13,17H,9-10H2,1-3H3/t13-,17-/m0/s1
InChIKeyHGTPHYLMSPNTJV-GUYCJALGSA-N
MW343.38 g/mol
LogP2.56
Rot. Bonds3

About 5-methoxy-2-[(2R,5S)-5-methyl-2-(2-methylphenyl)morpholine-4-carbonyl]pyran-4-one

5-methoxy-2-[(2R,5S)-5-methyl-2-(2-methylphenyl)morpholine-4-carbonyl]pyran-4-one (PubChem CID 124873677) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is 5-methoxy-2-[(2R,5S)-5-methyl-2-(2-methylphenyl)morpholine-4-carbonyl]pyran-4-one.

Molecular Properties

Compound Name5-methoxy-2-[(2R,5S)-5-methyl-2-(2-methylphenyl)morpholine-4-carbonyl]pyran-4-one
PubChem CID124873677
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC Name5-methoxy-2-[(2R,5S)-5-methyl-2-(2-methylphenyl)morpholine-4-carbonyl]pyran-4-one
SMILESCOc1coc(C(=O)N2C[C@@H](c3ccccc3C)OC[C@@H]2C)cc1=O
InChIInChI=1S/C19H21NO5/c1-12-6-4-5-7-14(12)17-9-20(13(2)10-24-17)19(22)16-8-15(21)18(23-3)11-25-16/h4-8,11,13,17H,9-10H2,1-3H3/t13-,17-/m0/s1
InChIKeyHGTPHYLMSPNTJV-GUYCJALGSA-N
XLogP2.56
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2S,5S)-5-methyl-2-(2-methylphenyl)morpholine-4-carbonyl]furan-2-carboxylic acid
CID 129415204
5-[5-methyl-2-(2-methylphenyl)morpholine-4-carbonyl]thiophene-2-carboxylic acid
CID 119186209
3-amino-1-[(2R,5R)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]propan-1-one
CID 124596139
4-(methylamino)-1-[5-methyl-2-(2-methylphenyl)morpholin-4-yl]butan-1-one
CID 119798504
(3-chloro-4-pyridinyl)-[(2S,5S)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]methanone
CID 124504814
2-(cyclopropylamino)-1-[(2R,5S)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]ethanone
CID 124696734
(2S)-2-amino-1-[(2R,5S)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]butan-1-one
CID 124596152
(2S)-2-amino-1-[(2S,5S)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]pentan-1-one
CID 124682932
[5-methyl-2-(2-methylphenyl)morpholin-4-yl]-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone
CID 71999082
3-(2-aminophenyl)-1-[(2S,5R)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]propan-1-one
CID 125120344
4-[(2S,5R)-2-(2-chlorophenyl)-5-methylmorpholine-4-carbonyl]-1H-pyridin-2-one
CID 124568472
[5-methyl-2-(2-methylphenyl)morpholin-4-yl]-morpholin-2-ylmethanone
CID 119798520

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[(2R,5S)-5-methyl-2-(2-methylphenyl)morpholine-4-carbonyl]pyran-4-one?
The IUPAC name of 5-methoxy-2-[(2R,5S)-5-methyl-2-(2-methylphenyl)morpholine-4-carbonyl]pyran-4-one (CID 124873677) is 5-methoxy-2-[(2R,5S)-5-methyl-2-(2-methylphenyl)morpholine-4-carbonyl]pyran-4-one.
What is the SMILES notation for 5-methoxy-2-[(2R,5S)-5-methyl-2-(2-methylphenyl)morpholine-4-carbonyl]pyran-4-one?
The canonical SMILES for 5-methoxy-2-[(2R,5S)-5-methyl-2-(2-methylphenyl)morpholine-4-carbonyl]pyran-4-one is COc1coc(C(=O)N2C[C@@H](c3ccccc3C)OC[C@@H]2C)cc1=O.
What is the InChIKey of 5-methoxy-2-[(2R,5S)-5-methyl-2-(2-methylphenyl)morpholine-4-carbonyl]pyran-4-one?
The InChIKey is HGTPHYLMSPNTJV-GUYCJALGSA-N. The full InChI is InChI=1S/C19H21NO5/c1-12-6-4-5-7-14(12)17-9-20(13(2)10-24-17)19(22)16-8-15(21)18(23-3)11-25-16/h4-8,11,13,17H,9-10H2,1-3H3/t13-,17-/m0/s1.
What are the key properties of 5-methoxy-2-[(2R,5S)-5-methyl-2-(2-methylphenyl)morpholine-4-carbonyl]pyran-4-one?
5-methoxy-2-[(2R,5S)-5-methyl-2-(2-methylphenyl)morpholine-4-carbonyl]pyran-4-one has a molecular weight of 343.38 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[(2R,5S)-5-methyl-2-(2-methylphenyl)morpholine-4-carbonyl]pyran-4-one is sourced from PubChem (CID 124873677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).