N-(2-phenoxyethyl)-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide

C16H19N3O5 — CID 8626763

IUPACN-(2-phenoxyethyl)-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide
SMILESCCCN1C(=O)C(=O)N(CC(=O)NCCOc2ccccc2)C1=O
InChIInChI=1S/C16H19N3O5/c1-2-9-18-14(21)15(22)19(16(18)23)11-13(20)17-8-10-24-12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3,(H,17,20)
InChIKeyYTFCQHRTBXQDMA-UHFFFAOYSA-N
MW333.34 g/mol
LogP0.38
Rot. Bonds8

About N-(2-phenoxyethyl)-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide

N-(2-phenoxyethyl)-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide (PubChem CID 8626763) has the molecular formula C16H19N3O5 and a molecular weight of 333.34 g/mol. Its IUPAC name is N-(2-phenoxyethyl)-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-phenoxyethyl)-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide
PubChem CID8626763
Molecular FormulaC16H19N3O5
Molecular Weight333.34 g/mol
Exact Mass333.13
IUPAC NameN-(2-phenoxyethyl)-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide
SMILESCCCN1C(=O)C(=O)N(CC(=O)NCCOc2ccccc2)C1=O
InChIInChI=1S/C16H19N3O5/c1-2-9-18-14(21)15(22)19(16(18)23)11-13(20)17-8-10-24-12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3,(H,17,20)
InChIKeyYTFCQHRTBXQDMA-UHFFFAOYSA-N
XLogP0.38
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-tert-butylphenoxy)ethyl]-2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
CID 9342014
2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-propylacetamide
CID 7819743
3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(2-phenoxyethyl)propanamide
CID 30859218
2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-(2-phenoxyethyl)acetamide
CID 8521760
2-(ethylamino)-N-(2-phenoxyethyl)acetamide
CID 60672813
N-[2-(4-tert-butylphenoxy)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 9017558
2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(2-phenoxyethyl)acetamide
CID 51146551
2-[(4S)-4-ethyl-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]-N-(2-phenoxyethyl)acetamide
CID 95328779
N-[2-(3,5-dimethylphenoxy)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 19171375
N-(thiophen-2-ylmethyl)-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide
CID 8626377
2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(4-phenoxyphenyl)acetamide
CID 4222608
N-prop-2-ynyl-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide
CID 9379902

Frequently Asked Questions

What is the IUPAC name of N-(2-phenoxyethyl)-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide?
The IUPAC name of N-(2-phenoxyethyl)-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide (CID 8626763) is N-(2-phenoxyethyl)-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-(2-phenoxyethyl)-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide?
The canonical SMILES for N-(2-phenoxyethyl)-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide is CCCN1C(=O)C(=O)N(CC(=O)NCCOc2ccccc2)C1=O.
What is the InChIKey of N-(2-phenoxyethyl)-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide?
The InChIKey is YTFCQHRTBXQDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O5/c1-2-9-18-14(21)15(22)19(16(18)23)11-13(20)17-8-10-24-12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3,(H,17,20).
What are the key properties of N-(2-phenoxyethyl)-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide?
N-(2-phenoxyethyl)-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide has a molecular weight of 333.34 g/mol, XLogP of 0.38, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenoxyethyl)-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide is sourced from PubChem (CID 8626763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).