N-[2-(cyclohexen-1-yl)ethyl]-2-(2,5-dioxo-3-phenylimidazolidin-1-yl)acetamide

C19H23N3O3 — CID 60519643

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-(2,5-dioxo-3-phenylimidazolidin-1-yl)acetamide
SMILESO=C(CN1C(=O)CN(c2ccccc2)C1=O)NCCC1=CCCCC1
InChIInChI=1S/C19H23N3O3/c23-17(20-12-11-15-7-3-1-4-8-15)13-22-18(24)14-21(19(22)25)16-9-5-2-6-10-16/h2,5-7,9-10H,1,3-4,8,11-14H2,(H,20,23)
InChIKeyFOSKYFZANFFWTJ-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.46
Rot. Bonds6

About N-[2-(cyclohexen-1-yl)ethyl]-2-(2,5-dioxo-3-phenylimidazolidin-1-yl)acetamide

N-[2-(cyclohexen-1-yl)ethyl]-2-(2,5-dioxo-3-phenylimidazolidin-1-yl)acetamide (PubChem CID 60519643) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-(2,5-dioxo-3-phenylimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-(2,5-dioxo-3-phenylimidazolidin-1-yl)acetamide
PubChem CID60519643
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-(2,5-dioxo-3-phenylimidazolidin-1-yl)acetamide
SMILESO=C(CN1C(=O)CN(c2ccccc2)C1=O)NCCC1=CCCCC1
InChIInChI=1S/C19H23N3O3/c23-17(20-12-11-15-7-3-1-4-8-15)13-22-18(24)14-21(19(22)25)16-9-5-2-6-10-16/h2,5-7,9-10H,1,3-4,8,11-14H2,(H,20,23)
InChIKeyFOSKYFZANFFWTJ-UHFFFAOYSA-N
XLogP2.46
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(2,5-dioxo-3-phenylimidazolidin-1-yl)acetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(2,5-dioxo-3-phenylimidazolidin-1-yl)acetamide (CID 60519643) is N-[2-(cyclohexen-1-yl)ethyl]-2-(2,5-dioxo-3-phenylimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-(2,5-dioxo-3-phenylimidazolidin-1-yl)acetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-(2,5-dioxo-3-phenylimidazolidin-1-yl)acetamide is O=C(CN1C(=O)CN(c2ccccc2)C1=O)NCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-(2,5-dioxo-3-phenylimidazolidin-1-yl)acetamide?
The InChIKey is FOSKYFZANFFWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c23-17(20-12-11-15-7-3-1-4-8-15)13-22-18(24)14-21(19(22)25)16-9-5-2-6-10-16/h2,5-7,9-10H,1,3-4,8,11-14H2,(H,20,23).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-(2,5-dioxo-3-phenylimidazolidin-1-yl)acetamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-(2,5-dioxo-3-phenylimidazolidin-1-yl)acetamide has a molecular weight of 341.41 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-(2,5-dioxo-3-phenylimidazolidin-1-yl)acetamide is sourced from PubChem (CID 60519643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).