3-[(3R)-1-[3-(4-methoxy-3-phenylmethoxyphenyl)propanoyl]pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione

C24H26N2O6 — CID 100727649

IUPAC3-[(3R)-1-[3-(4-methoxy-3-phenylmethoxyphenyl)propanoyl]pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione
SMILESCOc1ccc(CCC(=O)N2CC[C@@H](N3C(=O)COC3=O)C2)cc1OCc1ccccc1
InChIInChI=1S/C24H26N2O6/c1-30-20-9-7-17(13-21(20)31-15-18-5-3-2-4-6-18)8-10-22(27)25-12-11-19(14-25)26-23(28)16-32-24(26)29/h2-7,9,13,19H,8,10-12,14-16H2,1H3/t19-/m1/s1
InChIKeyHZWMFJVHFOZVHJ-LJQANCHMSA-N
MW438.48 g/mol
LogP2.79
Rot. Bonds8

About 3-[(3R)-1-[3-(4-methoxy-3-phenylmethoxyphenyl)propanoyl]pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione

3-[(3R)-1-[3-(4-methoxy-3-phenylmethoxyphenyl)propanoyl]pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione (PubChem CID 100727649) has the molecular formula C24H26N2O6 and a molecular weight of 438.48 g/mol. Its IUPAC name is 3-[(3R)-1-[3-(4-methoxy-3-phenylmethoxyphenyl)propanoyl]pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(3R)-1-[3-(4-methoxy-3-phenylmethoxyphenyl)propanoyl]pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione
PubChem CID100727649
Molecular FormulaC24H26N2O6
Molecular Weight438.48 g/mol
Exact Mass438.18
IUPAC Name3-[(3R)-1-[3-(4-methoxy-3-phenylmethoxyphenyl)propanoyl]pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione
SMILESCOc1ccc(CCC(=O)N2CC[C@@H](N3C(=O)COC3=O)C2)cc1OCc1ccccc1
InChIInChI=1S/C24H26N2O6/c1-30-20-9-7-17(13-21(20)31-15-18-5-3-2-4-6-18)8-10-22(27)25-12-11-19(14-25)26-23(28)16-32-24(26)29/h2-7,9,13,19H,8,10-12,14-16H2,1H3/t19-/m1/s1
InChIKeyHZWMFJVHFOZVHJ-LJQANCHMSA-N
XLogP2.79
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(3R)-1-[3-(3-chlorophenyl)propanoyl]pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione
CID 100727672
3-[1-[3-(3-methylphenyl)propanoyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione
CID 121156580
3-[1-[3-(3-bromo-4-methoxyphenyl)propanoyl]pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121159819
3-[1-[3-(4-phenylmethoxyphenyl)propanoyl]pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121159818
1-[(1R,5R)-8-azabicyclo[3.2.1]oct-2-en-8-yl]-3-(4-methoxy-3-phenylmethoxyphenyl)propan-1-one
CID 99883658
N-[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-4-yl]-2-phenylacetamide
CID 108551307
3-[1-[3-(2-methylphenyl)propanoyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione
CID 91815041
3-[(3S)-1-[2-(4-bromophenyl)acetyl]pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione
CID 100727878
(4S)-4-benzyl-3-[2-(4-methoxy-3-phenylmethoxyphenyl)acetyl]-1,3-oxazolidin-2-one
CID 15180731
3-[(3R)-1-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione
CID 100727385
3-(3-methoxy-4-phenylmethoxyphenyl)propanamide
CID 18442581
3-[1-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione
CID 117054364

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-1-[3-(4-methoxy-3-phenylmethoxyphenyl)propanoyl]pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione?
The IUPAC name of 3-[(3R)-1-[3-(4-methoxy-3-phenylmethoxyphenyl)propanoyl]pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione (CID 100727649) is 3-[(3R)-1-[3-(4-methoxy-3-phenylmethoxyphenyl)propanoyl]pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 3-[(3R)-1-[3-(4-methoxy-3-phenylmethoxyphenyl)propanoyl]pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 3-[(3R)-1-[3-(4-methoxy-3-phenylmethoxyphenyl)propanoyl]pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione is COc1ccc(CCC(=O)N2CC[C@@H](N3C(=O)COC3=O)C2)cc1OCc1ccccc1.
What is the InChIKey of 3-[(3R)-1-[3-(4-methoxy-3-phenylmethoxyphenyl)propanoyl]pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione?
The InChIKey is HZWMFJVHFOZVHJ-LJQANCHMSA-N. The full InChI is InChI=1S/C24H26N2O6/c1-30-20-9-7-17(13-21(20)31-15-18-5-3-2-4-6-18)8-10-22(27)25-12-11-19(14-25)26-23(28)16-32-24(26)29/h2-7,9,13,19H,8,10-12,14-16H2,1H3/t19-/m1/s1.
What are the key properties of 3-[(3R)-1-[3-(4-methoxy-3-phenylmethoxyphenyl)propanoyl]pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione?
3-[(3R)-1-[3-(4-methoxy-3-phenylmethoxyphenyl)propanoyl]pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione has a molecular weight of 438.48 g/mol, XLogP of 2.79, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-1-[3-(4-methoxy-3-phenylmethoxyphenyl)propanoyl]pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 100727649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).