1-[3-[benzyl(methyl)amino]-2-hydroxypropyl]-3-methyl-3-(2-methylpropyl)pyrrolidine-2,5-dione

C20H30N2O3 — CID 111448473

IUPAC1-[3-[benzyl(methyl)amino]-2-hydroxypropyl]-3-methyl-3-(2-methylpropyl)pyrrolidine-2,5-dione
SMILESCC(C)CC1(C)CC(=O)N(CC(O)CN(C)Cc2ccccc2)C1=O
InChIInChI=1S/C20H30N2O3/c1-15(2)10-20(3)11-18(24)22(19(20)25)14-17(23)13-21(4)12-16-8-6-5-7-9-16/h5-9,15,17,23H,10-14H2,1-4H3
InChIKeySMOCTZOCMNYLRH-UHFFFAOYSA-N
MW346.47 g/mol
LogP2.29
Rot. Bonds8

About 1-[3-[benzyl(methyl)amino]-2-hydroxypropyl]-3-methyl-3-(2-methylpropyl)pyrrolidine-2,5-dione

1-[3-[benzyl(methyl)amino]-2-hydroxypropyl]-3-methyl-3-(2-methylpropyl)pyrrolidine-2,5-dione (PubChem CID 111448473) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 1-[3-[benzyl(methyl)amino]-2-hydroxypropyl]-3-methyl-3-(2-methylpropyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[3-[benzyl(methyl)amino]-2-hydroxypropyl]-3-methyl-3-(2-methylpropyl)pyrrolidine-2,5-dione
PubChem CID111448473
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name1-[3-[benzyl(methyl)amino]-2-hydroxypropyl]-3-methyl-3-(2-methylpropyl)pyrrolidine-2,5-dione
SMILESCC(C)CC1(C)CC(=O)N(CC(O)CN(C)Cc2ccccc2)C1=O
InChIInChI=1S/C20H30N2O3/c1-15(2)10-20(3)11-18(24)22(19(20)25)14-17(23)13-21(4)12-16-8-6-5-7-9-16/h5-9,15,17,23H,10-14H2,1-4H3
InChIKeySMOCTZOCMNYLRH-UHFFFAOYSA-N
XLogP2.29
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.29
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-[3-[benzyl(methyl)amino]-2-hydroxypropyl]-3-methyl-3-(2-methylpropyl)pyrrolidine-2,5-dione?
The IUPAC name of 1-[3-[benzyl(methyl)amino]-2-hydroxypropyl]-3-methyl-3-(2-methylpropyl)pyrrolidine-2,5-dione (CID 111448473) is 1-[3-[benzyl(methyl)amino]-2-hydroxypropyl]-3-methyl-3-(2-methylpropyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[3-[benzyl(methyl)amino]-2-hydroxypropyl]-3-methyl-3-(2-methylpropyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-[3-[benzyl(methyl)amino]-2-hydroxypropyl]-3-methyl-3-(2-methylpropyl)pyrrolidine-2,5-dione is CC(C)CC1(C)CC(=O)N(CC(O)CN(C)Cc2ccccc2)C1=O.
What is the InChIKey of 1-[3-[benzyl(methyl)amino]-2-hydroxypropyl]-3-methyl-3-(2-methylpropyl)pyrrolidine-2,5-dione?
The InChIKey is SMOCTZOCMNYLRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-15(2)10-20(3)11-18(24)22(19(20)25)14-17(23)13-21(4)12-16-8-6-5-7-9-16/h5-9,15,17,23H,10-14H2,1-4H3.
What are the key properties of 1-[3-[benzyl(methyl)amino]-2-hydroxypropyl]-3-methyl-3-(2-methylpropyl)pyrrolidine-2,5-dione?
1-[3-[benzyl(methyl)amino]-2-hydroxypropyl]-3-methyl-3-(2-methylpropyl)pyrrolidine-2,5-dione has a molecular weight of 346.47 g/mol, XLogP of 2.29, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[benzyl(methyl)amino]-2-hydroxypropyl]-3-methyl-3-(2-methylpropyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 111448473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).