2-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(2-hydroxyethyl)acetamide

C15H19N3O4 — CID 71826617

IUPAC2-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(2-hydroxyethyl)acetamide
SMILESO=C(C[C@@H]1NC(=O)N(CCc2ccccc2)C1=O)NCCO
InChIInChI=1S/C15H19N3O4/c19-9-7-16-13(20)10-12-14(21)18(15(22)17-12)8-6-11-4-2-1-3-5-11/h1-5,12,19H,6-10H2,(H,16,20)(H,17,22)/t12-/m0/s1
InChIKeyLUYNVHQRIOEPNT-LBPRGKRZSA-N
MW305.33 g/mol
LogP-0.35
Rot. Bonds7

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

2-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(2-hydroxyethyl)acetamide (PubChem CID 71826617) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is 2-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound Name2-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(2-hydroxyethyl)acetamide
PubChem CID71826617
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Name2-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(2-hydroxyethyl)acetamide
SMILESO=C(C[C@@H]1NC(=O)N(CCc2ccccc2)C1=O)NCCO
InChIInChI=1S/C15H19N3O4/c19-9-7-16-13(20)10-12-14(21)18(15(22)17-12)8-6-11-4-2-1-3-5-11/h1-5,12,19H,6-10H2,(H,16,20)(H,17,22)/t12-/m0/s1
InChIKeyLUYNVHQRIOEPNT-LBPRGKRZSA-N
XLogP-0.35
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(2-hydroxyethyl)acetamide?
The IUPAC name of 2-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(2-hydroxyethyl)acetamide (CID 71826617) is 2-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for 2-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for 2-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(2-hydroxyethyl)acetamide is O=C(C[C@@H]1NC(=O)N(CCc2ccccc2)C1=O)NCCO.
What is the InChIKey of 2-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(2-hydroxyethyl)acetamide?
The InChIKey is LUYNVHQRIOEPNT-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H19N3O4/c19-9-7-16-13(20)10-12-14(21)18(15(22)17-12)8-6-11-4-2-1-3-5-11/h1-5,12,19H,6-10H2,(H,16,20)(H,17,22)/t12-/m0/s1.
What are the key properties of 2-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(2-hydroxyethyl)acetamide?
2-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(2-hydroxyethyl)acetamide has a molecular weight of 305.33 g/mol, XLogP of -0.35, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 71826617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).