3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-5-[(2-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione

C20H27N3O5 — CID 2999874

IUPAC3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-5-[(2-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione
SMILESCOc1ccccc1CC1(C)NC(=O)N(CC(=O)N2CC(C)OC(C)C2)C1=O
InChIInChI=1S/C20H27N3O5/c1-13-10-22(11-14(2)28-13)17(24)12-23-18(25)20(3,21-19(23)26)9-15-7-5-6-8-16(15)27-4/h5-8,13-14H,9-12H2,1-4H3,(H,21,26)
InChIKeyUURCLNSUDPBZNJ-UHFFFAOYSA-N
MW389.45 g/mol
LogP1.18
Rot. Bonds5

About 3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-5-[(2-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione

3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-5-[(2-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione (PubChem CID 2999874) has the molecular formula C20H27N3O5 and a molecular weight of 389.45 g/mol. Its IUPAC name is 3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-5-[(2-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-5-[(2-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione
PubChem CID2999874
Molecular FormulaC20H27N3O5
Molecular Weight389.45 g/mol
Exact Mass389.20
IUPAC Name3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-5-[(2-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione
SMILESCOc1ccccc1CC1(C)NC(=O)N(CC(=O)N2CC(C)OC(C)C2)C1=O
InChIInChI=1S/C20H27N3O5/c1-13-10-22(11-14(2)28-13)17(24)12-23-18(25)20(3,21-19(23)26)9-15-7-5-6-8-16(15)27-4/h5-8,13-14H,9-12H2,1-4H3,(H,21,26)
InChIKeyUURCLNSUDPBZNJ-UHFFFAOYSA-N
XLogP1.18
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-5-[(2-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-5-[(2-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione (CID 2999874) is 3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-5-[(2-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-5-[(2-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-5-[(2-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione is COc1ccccc1CC1(C)NC(=O)N(CC(=O)N2CC(C)OC(C)C2)C1=O.
What is the InChIKey of 3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-5-[(2-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is UURCLNSUDPBZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O5/c1-13-10-22(11-14(2)28-13)17(24)12-23-18(25)20(3,21-19(23)26)9-15-7-5-6-8-16(15)27-4/h5-8,13-14H,9-12H2,1-4H3,(H,21,26).
What are the key properties of 3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-5-[(2-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione?
3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-5-[(2-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 389.45 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-5-[(2-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 2999874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).