(6R)-4-ethyl-6-methyl-3-[2-oxo-3-(4-propan-2-ylphenyl)propyl]morpholin-2-one

C19H27NO3 — CID 147652973

IUPAC(6R)-4-ethyl-6-methyl-3-[2-oxo-3-(4-propan-2-ylphenyl)propyl]morpholin-2-one
SMILESCCN1C[C@@H](C)OC(=O)C1CC(=O)Cc1ccc(C(C)C)cc1
InChIInChI=1S/C19H27NO3/c1-5-20-12-14(4)23-19(22)18(20)11-17(21)10-15-6-8-16(9-7-15)13(2)3/h6-9,13-14,18H,5,10-12H2,1-4H3/t14-,18?/m1/s1
InChIKeyGJWDWWTYGOLLKH-IKJXHCRLSA-N
MW317.43 g/mol
LogP2.95
Rot. Bonds6

About (6R)-4-ethyl-6-methyl-3-[2-oxo-3-(4-propan-2-ylphenyl)propyl]morpholin-2-one

(6R)-4-ethyl-6-methyl-3-[2-oxo-3-(4-propan-2-ylphenyl)propyl]morpholin-2-one (PubChem CID 147652973) has the molecular formula C19H27NO3 and a molecular weight of 317.43 g/mol. Its IUPAC name is (6R)-4-ethyl-6-methyl-3-[2-oxo-3-(4-propan-2-ylphenyl)propyl]morpholin-2-one.

Molecular Properties

Compound Name(6R)-4-ethyl-6-methyl-3-[2-oxo-3-(4-propan-2-ylphenyl)propyl]morpholin-2-one
PubChem CID147652973
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC Name(6R)-4-ethyl-6-methyl-3-[2-oxo-3-(4-propan-2-ylphenyl)propyl]morpholin-2-one
SMILESCCN1C[C@@H](C)OC(=O)C1CC(=O)Cc1ccc(C(C)C)cc1
InChIInChI=1S/C19H27NO3/c1-5-20-12-14(4)23-19(22)18(20)11-17(21)10-15-6-8-16(9-7-15)13(2)3/h6-9,13-14,18H,5,10-12H2,1-4H3/t14-,18?/m1/s1
InChIKeyGJWDWWTYGOLLKH-IKJXHCRLSA-N
XLogP2.95
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6R)-4-ethyl-6-methyl-3-[2-oxo-3-(4-propan-2-ylphenyl)propyl]morpholin-2-one?
The IUPAC name of (6R)-4-ethyl-6-methyl-3-[2-oxo-3-(4-propan-2-ylphenyl)propyl]morpholin-2-one (CID 147652973) is (6R)-4-ethyl-6-methyl-3-[2-oxo-3-(4-propan-2-ylphenyl)propyl]morpholin-2-one.
What is the SMILES notation for (6R)-4-ethyl-6-methyl-3-[2-oxo-3-(4-propan-2-ylphenyl)propyl]morpholin-2-one?
The canonical SMILES for (6R)-4-ethyl-6-methyl-3-[2-oxo-3-(4-propan-2-ylphenyl)propyl]morpholin-2-one is CCN1C[C@@H](C)OC(=O)C1CC(=O)Cc1ccc(C(C)C)cc1.
What is the InChIKey of (6R)-4-ethyl-6-methyl-3-[2-oxo-3-(4-propan-2-ylphenyl)propyl]morpholin-2-one?
The InChIKey is GJWDWWTYGOLLKH-IKJXHCRLSA-N. The full InChI is InChI=1S/C19H27NO3/c1-5-20-12-14(4)23-19(22)18(20)11-17(21)10-15-6-8-16(9-7-15)13(2)3/h6-9,13-14,18H,5,10-12H2,1-4H3/t14-,18?/m1/s1.
What are the key properties of (6R)-4-ethyl-6-methyl-3-[2-oxo-3-(4-propan-2-ylphenyl)propyl]morpholin-2-one?
(6R)-4-ethyl-6-methyl-3-[2-oxo-3-(4-propan-2-ylphenyl)propyl]morpholin-2-one has a molecular weight of 317.43 g/mol, XLogP of 2.95, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-4-ethyl-6-methyl-3-[2-oxo-3-(4-propan-2-ylphenyl)propyl]morpholin-2-one is sourced from PubChem (CID 147652973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).