2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-propylacetamide

C16H21N3O3 — CID 3987726

IUPAC2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1C(=O)NC(CCc2ccccc2)C1=O
InChIInChI=1S/C16H21N3O3/c1-2-10-17-14(20)11-19-15(21)13(18-16(19)22)9-8-12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3,(H,17,20)(H,18,22)
InChIKeyOJABXZVQYFAWBM-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.07
Rot. Bonds7

About 2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-propylacetamide

2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-propylacetamide (PubChem CID 3987726) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-propylacetamide
PubChem CID3987726
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1C(=O)NC(CCc2ccccc2)C1=O
InChIInChI=1S/C16H21N3O3/c1-2-10-17-14(20)11-19-15(21)13(18-16(19)22)9-8-12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3,(H,17,20)(H,18,22)
InChIKeyOJABXZVQYFAWBM-UHFFFAOYSA-N
XLogP1.07
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-propylacetamide?
The IUPAC name of 2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-propylacetamide (CID 3987726) is 2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-propylacetamide.
What is the SMILES notation for 2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-propylacetamide?
The canonical SMILES for 2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-propylacetamide is CCCNC(=O)CN1C(=O)NC(CCc2ccccc2)C1=O.
What is the InChIKey of 2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-propylacetamide?
The InChIKey is OJABXZVQYFAWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-2-10-17-14(20)11-19-15(21)13(18-16(19)22)9-8-12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3,(H,17,20)(H,18,22).
What are the key properties of 2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-propylacetamide?
2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-propylacetamide has a molecular weight of 303.36 g/mol, XLogP of 1.07, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-propylacetamide is sourced from PubChem (CID 3987726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).