methyl 8-(3-benzyl-2-oxo-4-phenylimidazolidin-1-yl)octanoate

C25H32N2O3 — CID 70519412

IUPACmethyl 8-(3-benzyl-2-oxo-4-phenylimidazolidin-1-yl)octanoate
SMILESCOC(=O)CCCCCCCN1CC(c2ccccc2)N(Cc2ccccc2)C1=O
InChIInChI=1S/C25H32N2O3/c1-30-24(28)17-11-3-2-4-12-18-26-20-23(22-15-9-6-10-16-22)27(25(26)29)19-21-13-7-5-8-14-21/h5-10,13-16,23H,2-4,11-12,17-20H2,1H3
InChIKeyTUUXRJSAMUZZNM-UHFFFAOYSA-N
MW408.54 g/mol
LogP5.18
Rot. Bonds11

About methyl 8-(3-benzyl-2-oxo-4-phenylimidazolidin-1-yl)octanoate

methyl 8-(3-benzyl-2-oxo-4-phenylimidazolidin-1-yl)octanoate (PubChem CID 70519412) has the molecular formula C25H32N2O3 and a molecular weight of 408.54 g/mol. Its IUPAC name is methyl 8-(3-benzyl-2-oxo-4-phenylimidazolidin-1-yl)octanoate.

Molecular Properties

Compound Namemethyl 8-(3-benzyl-2-oxo-4-phenylimidazolidin-1-yl)octanoate
PubChem CID70519412
Molecular FormulaC25H32N2O3
Molecular Weight408.54 g/mol
Exact Mass408.24
IUPAC Namemethyl 8-(3-benzyl-2-oxo-4-phenylimidazolidin-1-yl)octanoate
SMILESCOC(=O)CCCCCCCN1CC(c2ccccc2)N(Cc2ccccc2)C1=O
InChIInChI=1S/C25H32N2O3/c1-30-24(28)17-11-3-2-4-12-18-26-20-23(22-15-9-6-10-16-22)27(25(26)29)19-21-13-7-5-8-14-21/h5-10,13-16,23H,2-4,11-12,17-20H2,1H3
InChIKeyTUUXRJSAMUZZNM-UHFFFAOYSA-N
XLogP5.18
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.54
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 8-(3-benzyl-2-oxo-4-phenylimidazolidin-1-yl)octanoate?
The IUPAC name of methyl 8-(3-benzyl-2-oxo-4-phenylimidazolidin-1-yl)octanoate (CID 70519412) is methyl 8-(3-benzyl-2-oxo-4-phenylimidazolidin-1-yl)octanoate.
What is the SMILES notation for methyl 8-(3-benzyl-2-oxo-4-phenylimidazolidin-1-yl)octanoate?
The canonical SMILES for methyl 8-(3-benzyl-2-oxo-4-phenylimidazolidin-1-yl)octanoate is COC(=O)CCCCCCCN1CC(c2ccccc2)N(Cc2ccccc2)C1=O.
What is the InChIKey of methyl 8-(3-benzyl-2-oxo-4-phenylimidazolidin-1-yl)octanoate?
The InChIKey is TUUXRJSAMUZZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O3/c1-30-24(28)17-11-3-2-4-12-18-26-20-23(22-15-9-6-10-16-22)27(25(26)29)19-21-13-7-5-8-14-21/h5-10,13-16,23H,2-4,11-12,17-20H2,1H3.
What are the key properties of methyl 8-(3-benzyl-2-oxo-4-phenylimidazolidin-1-yl)octanoate?
methyl 8-(3-benzyl-2-oxo-4-phenylimidazolidin-1-yl)octanoate has a molecular weight of 408.54 g/mol, XLogP of 5.18, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-(3-benzyl-2-oxo-4-phenylimidazolidin-1-yl)octanoate is sourced from PubChem (CID 70519412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).