3-[3-[[(1S)-1-(2-methoxyphenyl)ethyl]-methylamino]propyl]-5,5-dimethylimidazolidine-2,4-dione

C18H27N3O3 — CID 94184517

IUPAC3-[3-[[(1S)-1-(2-methoxyphenyl)ethyl]-methylamino]propyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCOc1ccccc1[C@H](C)N(C)CCCN1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C18H27N3O3/c1-13(14-9-6-7-10-15(14)24-5)20(4)11-8-12-21-16(22)18(2,3)19-17(21)23/h6-7,9-10,13H,8,11-12H2,1-5H3,(H,19,23)/t13-/m0/s1
InChIKeyZHJGLLUBFFOTTP-ZDUSSCGKSA-N
MW333.43 g/mol
LogP2.41
Rot. Bonds7

About 3-[3-[[(1S)-1-(2-methoxyphenyl)ethyl]-methylamino]propyl]-5,5-dimethylimidazolidine-2,4-dione

3-[3-[[(1S)-1-(2-methoxyphenyl)ethyl]-methylamino]propyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 94184517) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is 3-[3-[[(1S)-1-(2-methoxyphenyl)ethyl]-methylamino]propyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[3-[[(1S)-1-(2-methoxyphenyl)ethyl]-methylamino]propyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID94184517
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name3-[3-[[(1S)-1-(2-methoxyphenyl)ethyl]-methylamino]propyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCOc1ccccc1[C@H](C)N(C)CCCN1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C18H27N3O3/c1-13(14-9-6-7-10-15(14)24-5)20(4)11-8-12-21-16(22)18(2,3)19-17(21)23/h6-7,9-10,13H,8,11-12H2,1-5H3,(H,19,23)/t13-/m0/s1
InChIKeyZHJGLLUBFFOTTP-ZDUSSCGKSA-N
XLogP2.41
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.41
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

3-[2-[[(1S)-1-(2-methoxyphenyl)ethyl]-methylamino]ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 94104059
3-[3-[[(1S)-1-(2-fluorophenyl)ethyl]-methylamino]propyl]-5,5-dimethylimidazolidine-2,4-dione
CID 94470068
3-methoxy-N-[1-(2-methoxyphenyl)ethyl]-N-methylpropan-1-amine
CID 51081765
3-[2-[benzhydryl(methyl)amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 35429502
(1R)-N-ethyl-1-(2-methoxyphenyl)-N-methylethanamine
CID 118327627
3-[3-[2-(aminomethyl)phenoxy]propyl]-5,5-dimethylimidazolidine-2,4-dione
CID 43253870
2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide
CID 46588357
5,5-dimethyl-3-[3-[methyl-[(4-methylphenyl)methyl]amino]propyl]imidazolidine-2,4-dione
CID 87013212
3-[2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 34185346
2-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl-methylamino]propanoic acid;hydrochloride
CID 119912786
[2-(2-methoxyphenyl)-2-oxoethyl] 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoate
CID 8657099
N-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl]-N,3,4-trimethylbenzenesulfonamide
CID 131960941

Frequently Asked Questions

What is the IUPAC name of 3-[3-[[(1S)-1-(2-methoxyphenyl)ethyl]-methylamino]propyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[3-[[(1S)-1-(2-methoxyphenyl)ethyl]-methylamino]propyl]-5,5-dimethylimidazolidine-2,4-dione (CID 94184517) is 3-[3-[[(1S)-1-(2-methoxyphenyl)ethyl]-methylamino]propyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[3-[[(1S)-1-(2-methoxyphenyl)ethyl]-methylamino]propyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[3-[[(1S)-1-(2-methoxyphenyl)ethyl]-methylamino]propyl]-5,5-dimethylimidazolidine-2,4-dione is COc1ccccc1[C@H](C)N(C)CCCN1C(=O)NC(C)(C)C1=O.
What is the InChIKey of 3-[3-[[(1S)-1-(2-methoxyphenyl)ethyl]-methylamino]propyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is ZHJGLLUBFFOTTP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-13(14-9-6-7-10-15(14)24-5)20(4)11-8-12-21-16(22)18(2,3)19-17(21)23/h6-7,9-10,13H,8,11-12H2,1-5H3,(H,19,23)/t13-/m0/s1.
What are the key properties of 3-[3-[[(1S)-1-(2-methoxyphenyl)ethyl]-methylamino]propyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[3-[[(1S)-1-(2-methoxyphenyl)ethyl]-methylamino]propyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 333.43 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[(1S)-1-(2-methoxyphenyl)ethyl]-methylamino]propyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 94184517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).