3-[2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione

C20H25N3O3S — CID 34185346

IUPAC3-[2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCOc1ccccc1CN(CCN1C(=O)NC(C)(C)C1=O)Cc1cccs1
InChIInChI=1S/C20H25N3O3S/c1-20(2)18(24)23(19(25)21-20)11-10-22(14-16-8-6-12-27-16)13-15-7-4-5-9-17(15)26-3/h4-9,12H,10-11,13-14H2,1-3H3,(H,21,25)
InChIKeyIRHYEEFABXCDNQ-UHFFFAOYSA-N
MW387.51 g/mol
LogP3.09
Rot. Bonds8

About 3-[2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione

3-[2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 34185346) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is 3-[2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID34185346
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC Name3-[2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCOc1ccccc1CN(CCN1C(=O)NC(C)(C)C1=O)Cc1cccs1
InChIInChI=1S/C20H25N3O3S/c1-20(2)18(24)23(19(25)21-20)11-10-22(14-16-8-6-12-27-16)13-15-7-4-5-9-17(15)26-3/h4-9,12H,10-11,13-14H2,1-3H3,(H,21,25)
InChIKeyIRHYEEFABXCDNQ-UHFFFAOYSA-N
XLogP3.09
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 17468561
N-[(2-methoxyphenyl)methyl]-2-methylsulfanyl-N-(thiophen-2-ylmethyl)ethanamine
CID 112796417
N-[(2-methoxyphenyl)methyl]-2,2-dimethyl-N-(thiophen-2-ylmethyl)propan-1-amine
CID 129255543
3-[3-[cyclopropyl(thiophen-2-ylmethyl)amino]propyl]-5,5-dimethylimidazolidine-2,4-dione
CID 47054834
3-[2-[[(1S)-1-(2-methoxyphenyl)ethyl]-methylamino]ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 94104059
N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 46650156
2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]-N-prop-2-enylacetamide
CID 31480086
3-[2-[benzyl(furan-2-ylmethyl)amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 34185684
N-cyclopropyl-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(thiophen-2-ylmethyl)butanamide
CID 78852295
3-[2-[(5-chlorothiophen-2-yl)methyl-ethylamino]ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 86927868
7-hydroxy-4-[[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]methyl]-8-methylchromen-2-one
CID 9304335
1-[4-(difluoromethylsulfonyl)phenyl]-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)methanamine
CID 112803273

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione (CID 34185346) is 3-[2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione is COc1ccccc1CN(CCN1C(=O)NC(C)(C)C1=O)Cc1cccs1.
What is the InChIKey of 3-[2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is IRHYEEFABXCDNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-20(2)18(24)23(19(25)21-20)11-10-22(14-16-8-6-12-27-16)13-15-7-4-5-9-17(15)26-3/h4-9,12H,10-11,13-14H2,1-3H3,(H,21,25).
What are the key properties of 3-[2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 387.51 g/mol, XLogP of 3.09, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 34185346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).