(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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Related Compounds

(6R)-4-ethyl-6-methyl-3-[2-oxo-3-(4-propan-2-ylphenyl)propyl]morpholin-2-one
CID 147652973
methyl 2-[(6R)-4-ethyl-2-oxo-6-phenylmorpholin-3-yl]acetate
CID 67247978
4-(2-fluoroethyl)-6,6-dimethyl-3-[2-oxo-3-(4-propan-2-ylphenyl)propyl]morpholin-2-one
CID 157126602
6,6-dimethyl-3-[2-oxo-3-(4-propan-2-ylphenyl)propyl]-4-(2,2,2-trifluoroethyl)morpholin-2-one
CID 147145738
6,6-dimethyl-4-methylsulfonyl-3-[2-oxo-3-(4-propan-2-ylphenyl)propyl]morpholin-2-one
CID 158197024
1-cyclopentylsulfanyl-3-(4-propan-2-ylphenyl)propan-2-one
CID 65139009
1-(oxolan-3-yl)-3-(4-propan-2-ylphenyl)propan-2-one
CID 103986247
1-phenyl-3-(1-propan-2-ylazetidin-3-yl)propan-2-one
CID 161251993
(2-phenylmorpholin-4-yl)-(4-propan-2-ylphenyl)methanone
CID 84510718
2-(4-methylphenyl)-1-(5-phenyl-1,3-oxazolidin-3-yl)ethanone
CID 110740456
3-acetyl-5-phenyl-1,3-oxazolidin-2-one
CID 101053098
2-[5-(4-ethylphenyl)-2-oxo-1,3-oxazolidin-3-yl]acetic acid
CID 82087088

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).