2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide

C19H27N3O4 — CID 46588357

IUPAC2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide
SMILESCCC1(CC)NC(=O)N(CC(=O)N(C)C(C)c2ccccc2OC)C1=O
InChIInChI=1S/C19H27N3O4/c1-6-19(7-2)17(24)22(18(25)20-19)12-16(23)21(4)13(3)14-10-8-9-11-15(14)26-5/h8-11,13H,6-7,12H2,1-5H3,(H,20,25)
InChIKeyLOTACHRUIDSHBE-UHFFFAOYSA-N
MW361.44 g/mol
LogP2.33
Rot. Bonds7

About 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide

2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide (PubChem CID 46588357) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide
PubChem CID46588357
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC Name2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide
SMILESCCC1(CC)NC(=O)N(CC(=O)N(C)C(C)c2ccccc2OC)C1=O
InChIInChI=1S/C19H27N3O4/c1-6-19(7-2)17(24)22(18(25)20-19)12-16(23)21(4)13(3)14-10-8-9-11-15(14)26-5/h8-11,13H,6-7,12H2,1-5H3,(H,20,25)
InChIKeyLOTACHRUIDSHBE-UHFFFAOYSA-N
XLogP2.33
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 52.33
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

2-[[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]-methylamino]propanoic acid
CID 119358988
2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-phenyl-N-propan-2-ylacetamide
CID 9437310
2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide
CID 46665930
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methylacetamide
CID 95279087
[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 7691269
2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N,N-bis(2-methylpropyl)acetamide
CID 84601319
5,5-diethyl-3-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]imidazolidine-2,4-dione
CID 18086989
2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 24544890
N-benzhydryl-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 2425467
N-[(1S)-1-(2-methoxyphenyl)ethyl]-N-methyl-2-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl)acetamide
CID 97279194
[1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 47093841
3-[2-[[(1S)-1-(2-methoxyphenyl)ethyl]-methylamino]ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 94104059

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide?
The IUPAC name of 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide (CID 46588357) is 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide.
What is the SMILES notation for 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide?
The canonical SMILES for 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide is CCC1(CC)NC(=O)N(CC(=O)N(C)C(C)c2ccccc2OC)C1=O.
What is the InChIKey of 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide?
The InChIKey is LOTACHRUIDSHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4/c1-6-19(7-2)17(24)22(18(25)20-19)12-16(23)21(4)13(3)14-10-8-9-11-15(14)26-5/h8-11,13H,6-7,12H2,1-5H3,(H,20,25).
What are the key properties of 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide?
2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide has a molecular weight of 361.44 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide is sourced from PubChem (CID 46588357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).