N-(furan-2-ylmethyl)-2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-methylacetamide

C18H17N3O6 — CID 8597532

IUPACN-(furan-2-ylmethyl)-2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-methylacetamide
SMILESCOc1ccc(N2C(=O)C(=O)N(CC(=O)N(C)Cc3ccco3)C2=O)cc1
InChIInChI=1S/C18H17N3O6/c1-19(10-14-4-3-9-27-14)15(22)11-20-16(23)17(24)21(18(20)25)12-5-7-13(26-2)8-6-12/h3-9H,10-11H2,1-2H3
InChIKeyREDQLRBGCFFMRE-UHFFFAOYSA-N
MW371.35 g/mol
LogP1.24
Rot. Bonds6

About N-(furan-2-ylmethyl)-2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-methylacetamide

N-(furan-2-ylmethyl)-2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-methylacetamide (PubChem CID 8597532) has the molecular formula C18H17N3O6 and a molecular weight of 371.35 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-methylacetamide
PubChem CID8597532
Molecular FormulaC18H17N3O6
Molecular Weight371.35 g/mol
Exact Mass371.11
IUPAC NameN-(furan-2-ylmethyl)-2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-methylacetamide
SMILESCOc1ccc(N2C(=O)C(=O)N(CC(=O)N(C)Cc3ccco3)C2=O)cc1
InChIInChI=1S/C18H17N3O6/c1-19(10-14-4-3-9-27-14)15(22)11-20-16(23)17(24)21(18(20)25)12-5-7-13(26-2)8-6-12/h3-9H,10-11H2,1-2H3
InChIKeyREDQLRBGCFFMRE-UHFFFAOYSA-N
XLogP1.24
TPSA100.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.35
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-methoxyphenyl)methyl]-2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-methylacetamide
CID 7888640
2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 8597411
N-ethyl-N-(4-fluorophenyl)-2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 7888662
2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 9374673
N-(furan-2-ylmethyl)-2-(3-methoxyphenoxy)-N-methylacetamide
CID 112779308
2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide
CID 51260677
N,N-bis(furan-2-ylmethyl)-2-(4-methoxyphenyl)acetamide
CID 52548109
methyl N-(furan-2-ylmethyl)-N-methylcarbamate
CID 2755161
2-amino-N-(furan-2-ylmethyl)-5-methoxy-N-methylbenzamide
CID 54878485
1-(4-methoxyphenyl)-3-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]imidazolidine-2,4,5-trione
CID 8597469
1-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-3-(4-methoxyphenyl)imidazolidine-2,4,5-trione
CID 7888512
1-[2-(3,4-difluorophenyl)-2-oxoethyl]-3-(4-methoxyphenyl)imidazolidine-2,4,5-trione
CID 8597488

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-methylacetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-methylacetamide (CID 8597532) is N-(furan-2-ylmethyl)-2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-methylacetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-methylacetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-methylacetamide is COc1ccc(N2C(=O)C(=O)N(CC(=O)N(C)Cc3ccco3)C2=O)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-methylacetamide?
The InChIKey is REDQLRBGCFFMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O6/c1-19(10-14-4-3-9-27-14)15(22)11-20-16(23)17(24)21(18(20)25)12-5-7-13(26-2)8-6-12/h3-9H,10-11H2,1-2H3.
What are the key properties of N-(furan-2-ylmethyl)-2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-methylacetamide?
N-(furan-2-ylmethyl)-2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-methylacetamide has a molecular weight of 371.35 g/mol, XLogP of 1.24, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-methylacetamide is sourced from PubChem (CID 8597532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).