3-[2-[(2R)-2-[(3-methoxyphenyl)methyl]pyrrolidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione

C19H27N3O3 — CID 94796956

IUPAC3-[2-[(2R)-2-[(3-methoxyphenyl)methyl]pyrrolidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCOc1cccc(C[C@H]2CCCN2CCN2C(=O)NC(C)(C)C2=O)c1
InChIInChI=1S/C19H27N3O3/c1-19(2)17(23)22(18(24)20-19)11-10-21-9-5-7-15(21)12-14-6-4-8-16(13-14)25-3/h4,6,8,13,15H,5,7,9-12H2,1-3H3,(H,20,24)/t15-/m1/s1
InChIKeyFYMMROKJIVVFOR-OAHLLOKOSA-N
MW345.44 g/mol
LogP2.03
Rot. Bonds6

About 3-[2-[(2R)-2-[(3-methoxyphenyl)methyl]pyrrolidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione

3-[2-[(2R)-2-[(3-methoxyphenyl)methyl]pyrrolidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 94796956) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 3-[2-[(2R)-2-[(3-methoxyphenyl)methyl]pyrrolidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-[(2R)-2-[(3-methoxyphenyl)methyl]pyrrolidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID94796956
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name3-[2-[(2R)-2-[(3-methoxyphenyl)methyl]pyrrolidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCOc1cccc(C[C@H]2CCCN2CCN2C(=O)NC(C)(C)C2=O)c1
InChIInChI=1S/C19H27N3O3/c1-19(2)17(23)22(18(24)20-19)11-10-21-9-5-7-15(21)12-14-6-4-8-16(13-14)25-3/h4,6,8,13,15H,5,7,9-12H2,1-3H3,(H,20,24)/t15-/m1/s1
InChIKeyFYMMROKJIVVFOR-OAHLLOKOSA-N
XLogP2.03
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.03
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

5,5-dimethyl-3-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione
CID 81491302
3-[2-[(3-methoxyphenyl)methylsulfanyl]ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 38637594
3-[2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 94393094
3-[2-[2-(2-hydroxyethyl)piperidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 62020103
3-[2-(3-methoxyphenyl)ethyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 70742509
(5R)-3-[[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 11925198
(5S)-3-[[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 11925196
3-[3-[2-(3-bromophenyl)pyrrolidin-1-yl]propyl]-5,5-dimethylimidazolidine-2,4-dione
CID 47057220
(5R)-3-(3-hydroxypropyl)-5-[(3-methoxyphenyl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione
CID 95210352
3-[3-(3-methoxyphenoxy)propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 100677822
3-[3-[2-(3-fluorophenyl)pyrrolidin-1-yl]propyl]-5,5-dimethylimidazolidine-2,4-dione
CID 47058227
2-[2-[(3-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]-1H-pyridin-4-one
CID 136562658

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2R)-2-[(3-methoxyphenyl)methyl]pyrrolidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-[(2R)-2-[(3-methoxyphenyl)methyl]pyrrolidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione (CID 94796956) is 3-[2-[(2R)-2-[(3-methoxyphenyl)methyl]pyrrolidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-[(2R)-2-[(3-methoxyphenyl)methyl]pyrrolidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-[(2R)-2-[(3-methoxyphenyl)methyl]pyrrolidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione is COc1cccc(C[C@H]2CCCN2CCN2C(=O)NC(C)(C)C2=O)c1.
What is the InChIKey of 3-[2-[(2R)-2-[(3-methoxyphenyl)methyl]pyrrolidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is FYMMROKJIVVFOR-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-19(2)17(23)22(18(24)20-19)11-10-21-9-5-7-15(21)12-14-6-4-8-16(13-14)25-3/h4,6,8,13,15H,5,7,9-12H2,1-3H3,(H,20,24)/t15-/m1/s1.
What are the key properties of 3-[2-[(2R)-2-[(3-methoxyphenyl)methyl]pyrrolidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[2-[(2R)-2-[(3-methoxyphenyl)methyl]pyrrolidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 345.44 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2R)-2-[(3-methoxyphenyl)methyl]pyrrolidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 94796956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).