2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3,5-dimethoxyphenyl)acetamide

C18H21N3O6 — CID 2496378

IUPAC2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3,5-dimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)CN2C(=O)C(=O)N(C3CCCC3)C2=O)cc(OC)c1
InChIInChI=1S/C18H21N3O6/c1-26-13-7-11(8-14(9-13)27-2)19-15(22)10-20-16(23)17(24)21(18(20)25)12-5-3-4-6-12/h7-9,12H,3-6,10H2,1-2H3,(H,19,22)
InChIKeyMBQRTGPQRUWUAL-UHFFFAOYSA-N
MW375.38 g/mol
LogP1.38
Rot. Bonds6

About 2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3,5-dimethoxyphenyl)acetamide

2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3,5-dimethoxyphenyl)acetamide (PubChem CID 2496378) has the molecular formula C18H21N3O6 and a molecular weight of 375.38 g/mol. Its IUPAC name is 2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3,5-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3,5-dimethoxyphenyl)acetamide
PubChem CID2496378
Molecular FormulaC18H21N3O6
Molecular Weight375.38 g/mol
Exact Mass375.14
IUPAC Name2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3,5-dimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)CN2C(=O)C(=O)N(C3CCCC3)C2=O)cc(OC)c1
InChIInChI=1S/C18H21N3O6/c1-26-13-7-11(8-14(9-13)27-2)19-15(22)10-20-16(23)17(24)21(18(20)25)12-5-3-4-6-12/h7-9,12H,3-6,10H2,1-2H3,(H,19,22)
InChIKeyMBQRTGPQRUWUAL-UHFFFAOYSA-N
XLogP1.38
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 51.38
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 2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3,5-dimethoxyphenyl)acetamide?
The IUPAC name of 2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3,5-dimethoxyphenyl)acetamide (CID 2496378) is 2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3,5-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3,5-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3,5-dimethoxyphenyl)acetamide is COc1cc(NC(=O)CN2C(=O)C(=O)N(C3CCCC3)C2=O)cc(OC)c1.
What is the InChIKey of 2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3,5-dimethoxyphenyl)acetamide?
The InChIKey is MBQRTGPQRUWUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O6/c1-26-13-7-11(8-14(9-13)27-2)19-15(22)10-20-16(23)17(24)21(18(20)25)12-5-3-4-6-12/h7-9,12H,3-6,10H2,1-2H3,(H,19,22).
What are the key properties of 2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3,5-dimethoxyphenyl)acetamide?
2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3,5-dimethoxyphenyl)acetamide has a molecular weight of 375.38 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3,5-dimethoxyphenyl)acetamide is sourced from PubChem (CID 2496378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).