1-(cyclohexylmethyl)-3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-3-phenylpyrrolidine-2,5-dione

C25H34N2O4 — CID 45172528

IUPAC1-(cyclohexylmethyl)-3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-3-phenylpyrrolidine-2,5-dione
SMILESC[C@@H]1CN(C(=O)CC2(c3ccccc3)CC(=O)N(CC3CCCCC3)C2=O)C[C@H](C)O1
InChIInChI=1S/C25H34N2O4/c1-18-15-26(16-19(2)31-18)22(28)13-25(21-11-7-4-8-12-21)14-23(29)27(24(25)30)17-20-9-5-3-6-10-20/h4,7-8,11-12,18-20H,3,5-6,9-10,13-17H2,1-2H3/t18-,19+,25?
InChIKeySATFHHMHZFYXJY-OOEJVQDLSA-N
MW426.56 g/mol
LogP3.29
Rot. Bonds5

About 1-(cyclohexylmethyl)-3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-3-phenylpyrrolidine-2,5-dione

1-(cyclohexylmethyl)-3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-3-phenylpyrrolidine-2,5-dione (PubChem CID 45172528) has the molecular formula C25H34N2O4 and a molecular weight of 426.56 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-3-phenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-3-phenylpyrrolidine-2,5-dione
PubChem CID45172528
Molecular FormulaC25H34N2O4
Molecular Weight426.56 g/mol
Exact Mass426.25
IUPAC Name1-(cyclohexylmethyl)-3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-3-phenylpyrrolidine-2,5-dione
SMILESC[C@@H]1CN(C(=O)CC2(c3ccccc3)CC(=O)N(CC3CCCCC3)C2=O)C[C@H](C)O1
InChIInChI=1S/C25H34N2O4/c1-18-15-26(16-19(2)31-18)22(28)13-25(21-11-7-4-8-12-21)14-23(29)27(24(25)30)17-20-9-5-3-6-10-20/h4,7-8,11-12,18-20H,3,5-6,9-10,13-17H2,1-2H3/t18-,19+,25?
InChIKeySATFHHMHZFYXJY-OOEJVQDLSA-N
XLogP3.29
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-3-phenylpyrrolidine-2,5-dione?
The IUPAC name of 1-(cyclohexylmethyl)-3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-3-phenylpyrrolidine-2,5-dione (CID 45172528) is 1-(cyclohexylmethyl)-3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-3-phenylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(cyclohexylmethyl)-3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-3-phenylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(cyclohexylmethyl)-3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-3-phenylpyrrolidine-2,5-dione is C[C@@H]1CN(C(=O)CC2(c3ccccc3)CC(=O)N(CC3CCCCC3)C2=O)C[C@H](C)O1.
What is the InChIKey of 1-(cyclohexylmethyl)-3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-3-phenylpyrrolidine-2,5-dione?
The InChIKey is SATFHHMHZFYXJY-OOEJVQDLSA-N. The full InChI is InChI=1S/C25H34N2O4/c1-18-15-26(16-19(2)31-18)22(28)13-25(21-11-7-4-8-12-21)14-23(29)27(24(25)30)17-20-9-5-3-6-10-20/h4,7-8,11-12,18-20H,3,5-6,9-10,13-17H2,1-2H3/t18-,19+,25?.
What are the key properties of 1-(cyclohexylmethyl)-3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-3-phenylpyrrolidine-2,5-dione?
1-(cyclohexylmethyl)-3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-3-phenylpyrrolidine-2,5-dione has a molecular weight of 426.56 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-3-phenylpyrrolidine-2,5-dione is sourced from PubChem (CID 45172528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).