5,5-dimethyl-1-[2-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]-2-oxoethyl]imidazolidine-2,4-dione

C18H23N3O4 — CID 95772464

IUPAC5,5-dimethyl-1-[2-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]-2-oxoethyl]imidazolidine-2,4-dione
SMILESC[C@@H]1CN(C(=O)CN2C(=O)NC(=O)C2(C)C)C[C@H](c2ccccc2)O1
InChIInChI=1S/C18H23N3O4/c1-12-9-20(10-14(25-12)13-7-5-4-6-8-13)15(22)11-21-17(24)19-16(23)18(21,2)3/h4-8,12,14H,9-11H2,1-3H3,(H,19,23,24)/t12-,14-/m1/s1
InChIKeyQSOHOQUSBPYBFT-TZMCWYRMSA-N
MW345.40 g/mol
LogP1.31
Rot. Bonds3

About 5,5-dimethyl-1-[2-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]-2-oxoethyl]imidazolidine-2,4-dione

5,5-dimethyl-1-[2-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]-2-oxoethyl]imidazolidine-2,4-dione (PubChem CID 95772464) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is 5,5-dimethyl-1-[2-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]-2-oxoethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-dimethyl-1-[2-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]-2-oxoethyl]imidazolidine-2,4-dione
PubChem CID95772464
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Name5,5-dimethyl-1-[2-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]-2-oxoethyl]imidazolidine-2,4-dione
SMILESC[C@@H]1CN(C(=O)CN2C(=O)NC(=O)C2(C)C)C[C@H](c2ccccc2)O1
InChIInChI=1S/C18H23N3O4/c1-12-9-20(10-14(25-12)13-7-5-4-6-8-13)15(22)11-21-17(24)19-16(23)18(21,2)3/h4-8,12,14H,9-11H2,1-3H3,(H,19,23,24)/t12-,14-/m1/s1
InChIKeyQSOHOQUSBPYBFT-TZMCWYRMSA-N
XLogP1.31
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 120746137
1-[2-[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one
CID 95145336
1-[2-[2-(4-chlorophenyl)morpholin-4-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 56862525
1-(2-methyl-6-phenylmorpholin-4-yl)-2-phenoxyethanone
CID 47914743
2-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]acetic acid
CID 100637021
(2-methyl-6-phenylmorpholin-4-yl)-phenylmethanone
CID 47914795
N-[2-[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]-2-oxoethyl]benzamide
CID 94782920
(2R)-2-[2-[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]-2-oxoethyl]-4H-1,4-benzothiazin-3-one
CID 52534743
2-(2-methoxyethylamino)-1-(2-methyl-6-phenylmorpholin-4-yl)ethanone;hydrochloride
CID 119751382
1-(2-methyl-6-phenylmorpholin-4-yl)-3-piperidin-4-ylbutan-1-one
CID 119751371
2,4-dimethyl-5-[2-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]-2-oxoethyl]-1H-pyrimidin-6-one
CID 136903624
4-amino-2-methyl-5-[2-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]-2-oxoethyl]-1H-pyrimidin-6-one
CID 136790529

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-1-[2-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]-2-oxoethyl]imidazolidine-2,4-dione?
The IUPAC name of 5,5-dimethyl-1-[2-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]-2-oxoethyl]imidazolidine-2,4-dione (CID 95772464) is 5,5-dimethyl-1-[2-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]-2-oxoethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-dimethyl-1-[2-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]-2-oxoethyl]imidazolidine-2,4-dione?
The canonical SMILES for 5,5-dimethyl-1-[2-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]-2-oxoethyl]imidazolidine-2,4-dione is C[C@@H]1CN(C(=O)CN2C(=O)NC(=O)C2(C)C)C[C@H](c2ccccc2)O1.
What is the InChIKey of 5,5-dimethyl-1-[2-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]-2-oxoethyl]imidazolidine-2,4-dione?
The InChIKey is QSOHOQUSBPYBFT-TZMCWYRMSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-12-9-20(10-14(25-12)13-7-5-4-6-8-13)15(22)11-21-17(24)19-16(23)18(21,2)3/h4-8,12,14H,9-11H2,1-3H3,(H,19,23,24)/t12-,14-/m1/s1.
What are the key properties of 5,5-dimethyl-1-[2-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]-2-oxoethyl]imidazolidine-2,4-dione?
5,5-dimethyl-1-[2-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]-2-oxoethyl]imidazolidine-2,4-dione has a molecular weight of 345.40 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-1-[2-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]-2-oxoethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 95772464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).