5-[4-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione

C17H21N3O4 — CID 127758807

IUPAC5-[4-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione
SMILESC[C@@H]1CN(C(=O)c2ccc(C3(C)NC(=O)NC3=O)cc2)C[C@H](C)O1
InChIInChI=1S/C17H21N3O4/c1-10-8-20(9-11(2)24-10)14(21)12-4-6-13(7-5-12)17(3)15(22)18-16(23)19-17/h4-7,10-11H,8-9H2,1-3H3,(H2,18,19,22,23)/t10-,11+,17?
InChIKeyGXKCAYBKZZNWOK-DNJLBHFNSA-N
MW331.37 g/mol
LogP0.99
Rot. Bonds2

About 5-[4-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione

5-[4-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione (PubChem CID 127758807) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is 5-[4-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[4-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione
PubChem CID127758807
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name5-[4-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione
SMILESC[C@@H]1CN(C(=O)c2ccc(C3(C)NC(=O)NC3=O)cc2)C[C@H](C)O1
InChIInChI=1S/C17H21N3O4/c1-10-8-20(9-11(2)24-10)14(21)12-4-6-13(7-5-12)17(3)15(22)18-16(23)19-17/h4-7,10-11H,8-9H2,1-3H3,(H2,18,19,22,23)/t10-,11+,17?
InChIKeyGXKCAYBKZZNWOK-DNJLBHFNSA-N
XLogP0.99
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5R)-5-[4-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione
CID 124589328
(5S)-5-methyl-5-[4-[(3R)-3-methylpiperidine-1-carbonyl]phenyl]imidazolidine-2,4-dione
CID 95971979
[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 618918
(5R)-5-[4-[(3R)-3-aminopiperidine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione
CID 124593322
(2R,3R)-2-methyl-1-[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]piperidine-3-carboxylic acid
CID 122115512
(5R)-5-[4-[(3S)-3-[(1S)-1-aminoethyl]piperidine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione
CID 124690838
(5S)-5-methyl-5-[4-[(2S)-2-methylpiperazine-1-carbonyl]phenyl]imidazolidine-2,4-dione
CID 124571337
4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]benzoic acid
CID 93051085
4-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]benzoic acid
CID 93051084
(2,6-dimethylmorpholin-4-yl)-(4-iodophenyl)methanone
CID 2961375
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(4-phenylphenyl)methanone
CID 7316313
(2,6-dimethylmorpholin-4-yl)-(4-phenylphenyl)methanone
CID 3118736

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-[4-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione (CID 127758807) is 5-[4-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[4-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-[4-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione is C[C@@H]1CN(C(=O)c2ccc(C3(C)NC(=O)NC3=O)cc2)C[C@H](C)O1.
What is the InChIKey of 5-[4-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is GXKCAYBKZZNWOK-DNJLBHFNSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-10-8-20(9-11(2)24-10)14(21)12-4-6-13(7-5-12)17(3)15(22)18-16(23)19-17/h4-7,10-11H,8-9H2,1-3H3,(H2,18,19,22,23)/t10-,11+,17?.
What are the key properties of 5-[4-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione?
5-[4-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 331.37 g/mol, XLogP of 0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 127758807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).