N-(3,5-dimethoxyphenyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide

C17H21N3O6 — CID 2495481

IUPACN-(3,5-dimethoxyphenyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
SMILESCOc1cc(NC(=O)CN2C(=O)C(=O)N(CC(C)C)C2=O)cc(OC)c1
InChIInChI=1S/C17H21N3O6/c1-10(2)8-19-15(22)16(23)20(17(19)24)9-14(21)18-11-5-12(25-3)7-13(6-11)26-4/h5-7,10H,8-9H2,1-4H3,(H,18,21)
InChIKeyAQRKLVBLLYRZHK-UHFFFAOYSA-N
MW363.37 g/mol
LogP1.09
Rot. Bonds7

About N-(3,5-dimethoxyphenyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide

N-(3,5-dimethoxyphenyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide (PubChem CID 2495481) has the molecular formula C17H21N3O6 and a molecular weight of 363.37 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
PubChem CID2495481
Molecular FormulaC17H21N3O6
Molecular Weight363.37 g/mol
Exact Mass363.14
IUPAC NameN-(3,5-dimethoxyphenyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
SMILESCOc1cc(NC(=O)CN2C(=O)C(=O)N(CC(C)C)C2=O)cc(OC)c1
InChIInChI=1S/C17H21N3O6/c1-10(2)8-19-15(22)16(23)20(17(19)24)9-14(21)18-11-5-12(25-3)7-13(6-11)26-4/h5-7,10H,8-9H2,1-4H3,(H,18,21)
InChIKeyAQRKLVBLLYRZHK-UHFFFAOYSA-N
XLogP1.09
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 51.09
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide (CID 2495481) is N-(3,5-dimethoxyphenyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide is COc1cc(NC(=O)CN2C(=O)C(=O)N(CC(C)C)C2=O)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide?
The InChIKey is AQRKLVBLLYRZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O6/c1-10(2)8-19-15(22)16(23)20(17(19)24)9-14(21)18-11-5-12(25-3)7-13(6-11)26-4/h5-7,10H,8-9H2,1-4H3,(H,18,21).
What are the key properties of N-(3,5-dimethoxyphenyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide?
N-(3,5-dimethoxyphenyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide has a molecular weight of 363.37 g/mol, XLogP of 1.09, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 2495481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).