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

C24H29NO3 — CID 161263252

IUPAC(6R)-4-ethyl-3-[2-oxo-3-(4-propan-2-ylphenyl)propyl]-6-phenylmorpholin-2-one
SMILESCCN1C[C@@H](c2ccccc2)OC(=O)C1CC(=O)Cc1ccc(C(C)C)cc1
InChIInChI=1S/C24H29NO3/c1-4-25-16-23(20-8-6-5-7-9-20)28-24(27)22(25)15-21(26)14-18-10-12-19(13-11-18)17(2)3/h5-13,17,22-23H,4,14-16H2,1-3H3/t22?,23-/m0/s1
InChIKeyVCVMVUKRKPAUTL-WCSIJFPASA-N
MW379.50 g/mol
LogP4.30
Rot. Bonds7

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

(6R)-4-ethyl-3-[2-oxo-3-(4-propan-2-ylphenyl)propyl]-6-phenylmorpholin-2-one (PubChem CID 161263252) has the molecular formula C24H29NO3 and a molecular weight of 379.50 g/mol. Its IUPAC name is (6R)-4-ethyl-3-[2-oxo-3-(4-propan-2-ylphenyl)propyl]-6-phenylmorpholin-2-one.

Molecular Properties

Compound Name(6R)-4-ethyl-3-[2-oxo-3-(4-propan-2-ylphenyl)propyl]-6-phenylmorpholin-2-one
PubChem CID161263252
Molecular FormulaC24H29NO3
Molecular Weight379.50 g/mol
Exact Mass379.21
IUPAC Name(6R)-4-ethyl-3-[2-oxo-3-(4-propan-2-ylphenyl)propyl]-6-phenylmorpholin-2-one
SMILESCCN1C[C@@H](c2ccccc2)OC(=O)C1CC(=O)Cc1ccc(C(C)C)cc1
InChIInChI=1S/C24H29NO3/c1-4-25-16-23(20-8-6-5-7-9-20)28-24(27)22(25)15-21(26)14-18-10-12-19(13-11-18)17(2)3/h5-13,17,22-23H,4,14-16H2,1-3H3/t22?,23-/m0/s1
InChIKeyVCVMVUKRKPAUTL-WCSIJFPASA-N
XLogP4.30
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6R)-4-ethyl-3-[2-oxo-3-(4-propan-2-ylphenyl)propyl]-6-phenylmorpholin-2-one?
The IUPAC name of (6R)-4-ethyl-3-[2-oxo-3-(4-propan-2-ylphenyl)propyl]-6-phenylmorpholin-2-one (CID 161263252) is (6R)-4-ethyl-3-[2-oxo-3-(4-propan-2-ylphenyl)propyl]-6-phenylmorpholin-2-one.
What is the SMILES notation for (6R)-4-ethyl-3-[2-oxo-3-(4-propan-2-ylphenyl)propyl]-6-phenylmorpholin-2-one?
The canonical SMILES for (6R)-4-ethyl-3-[2-oxo-3-(4-propan-2-ylphenyl)propyl]-6-phenylmorpholin-2-one is CCN1C[C@@H](c2ccccc2)OC(=O)C1CC(=O)Cc1ccc(C(C)C)cc1.
What is the InChIKey of (6R)-4-ethyl-3-[2-oxo-3-(4-propan-2-ylphenyl)propyl]-6-phenylmorpholin-2-one?
The InChIKey is VCVMVUKRKPAUTL-WCSIJFPASA-N. The full InChI is InChI=1S/C24H29NO3/c1-4-25-16-23(20-8-6-5-7-9-20)28-24(27)22(25)15-21(26)14-18-10-12-19(13-11-18)17(2)3/h5-13,17,22-23H,4,14-16H2,1-3H3/t22?,23-/m0/s1.
What are the key properties of (6R)-4-ethyl-3-[2-oxo-3-(4-propan-2-ylphenyl)propyl]-6-phenylmorpholin-2-one?
(6R)-4-ethyl-3-[2-oxo-3-(4-propan-2-ylphenyl)propyl]-6-phenylmorpholin-2-one has a molecular weight of 379.50 g/mol, XLogP of 4.30, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-4-ethyl-3-[2-oxo-3-(4-propan-2-ylphenyl)propyl]-6-phenylmorpholin-2-one is sourced from PubChem (CID 161263252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).