1-(cyclohexylmethyl)-3-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-3-phenylpyrrolidine-2,5-dione

C23H30N2O4 — CID 126463824

IUPAC1-(cyclohexylmethyl)-3-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-3-phenylpyrrolidine-2,5-dione
SMILESO=C(CC1(c2ccccc2)CC(=O)N(CC2CCCCC2)C1=O)N1CC[C@@H](O)C1
InChIInChI=1S/C23H30N2O4/c26-19-11-12-24(16-19)20(27)13-23(18-9-5-2-6-10-18)14-21(28)25(22(23)29)15-17-7-3-1-4-8-17/h2,5-6,9-10,17,19,26H,1,3-4,7-8,11-16H2/t19-,23?/m1/s1
InChIKeySCOBRWSKVKAFGY-HWYAHNCWSA-N
MW398.50 g/mol
LogP2.25
Rot. Bonds5

About 1-(cyclohexylmethyl)-3-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-3-phenylpyrrolidine-2,5-dione

1-(cyclohexylmethyl)-3-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-3-phenylpyrrolidine-2,5-dione (PubChem CID 126463824) has the molecular formula C23H30N2O4 and a molecular weight of 398.50 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-3-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-3-phenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-3-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-3-phenylpyrrolidine-2,5-dione
PubChem CID126463824
Molecular FormulaC23H30N2O4
Molecular Weight398.50 g/mol
Exact Mass398.22
IUPAC Name1-(cyclohexylmethyl)-3-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-3-phenylpyrrolidine-2,5-dione
SMILESO=C(CC1(c2ccccc2)CC(=O)N(CC2CCCCC2)C1=O)N1CC[C@@H](O)C1
InChIInChI=1S/C23H30N2O4/c26-19-11-12-24(16-19)20(27)13-23(18-9-5-2-6-10-18)14-21(28)25(22(23)29)15-17-7-3-1-4-8-17/h2,5-6,9-10,17,19,26H,1,3-4,7-8,11-16H2/t19-,23?/m1/s1
InChIKeySCOBRWSKVKAFGY-HWYAHNCWSA-N
XLogP2.25
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 52.25
H-Bond Donors ≤ 51
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-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-3-phenylpyrrolidine-2,5-dione?
The IUPAC name of 1-(cyclohexylmethyl)-3-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-3-phenylpyrrolidine-2,5-dione (CID 126463824) is 1-(cyclohexylmethyl)-3-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-3-phenylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(cyclohexylmethyl)-3-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-3-phenylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(cyclohexylmethyl)-3-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-3-phenylpyrrolidine-2,5-dione is O=C(CC1(c2ccccc2)CC(=O)N(CC2CCCCC2)C1=O)N1CC[C@@H](O)C1.
What is the InChIKey of 1-(cyclohexylmethyl)-3-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-3-phenylpyrrolidine-2,5-dione?
The InChIKey is SCOBRWSKVKAFGY-HWYAHNCWSA-N. The full InChI is InChI=1S/C23H30N2O4/c26-19-11-12-24(16-19)20(27)13-23(18-9-5-2-6-10-18)14-21(28)25(22(23)29)15-17-7-3-1-4-8-17/h2,5-6,9-10,17,19,26H,1,3-4,7-8,11-16H2/t19-,23?/m1/s1.
What are the key properties of 1-(cyclohexylmethyl)-3-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-3-phenylpyrrolidine-2,5-dione?
1-(cyclohexylmethyl)-3-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-3-phenylpyrrolidine-2,5-dione has a molecular weight of 398.50 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-3-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-3-phenylpyrrolidine-2,5-dione is sourced from PubChem (CID 126463824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).