methyl 8-[3-(4-methoxyphenyl)-2-oxo-4-phenylimidazolidin-1-yl]octanoate

C25H32N2O4 — CID 70519784

IUPACmethyl 8-[3-(4-methoxyphenyl)-2-oxo-4-phenylimidazolidin-1-yl]octanoate
SMILESCOC(=O)CCCCCCCN1CC(c2ccccc2)N(c2ccc(OC)cc2)C1=O
InChIInChI=1S/C25H32N2O4/c1-30-22-16-14-21(15-17-22)27-23(20-11-7-6-8-12-20)19-26(25(27)29)18-10-5-3-4-9-13-24(28)31-2/h6-8,11-12,14-17,23H,3-5,9-10,13,18-19H2,1-2H3
InChIKeyAMLPSGNDAIKBSR-UHFFFAOYSA-N
MW424.54 g/mol
LogP5.19
Rot. Bonds11

About methyl 8-[3-(4-methoxyphenyl)-2-oxo-4-phenylimidazolidin-1-yl]octanoate

methyl 8-[3-(4-methoxyphenyl)-2-oxo-4-phenylimidazolidin-1-yl]octanoate (PubChem CID 70519784) has the molecular formula C25H32N2O4 and a molecular weight of 424.54 g/mol. Its IUPAC name is methyl 8-[3-(4-methoxyphenyl)-2-oxo-4-phenylimidazolidin-1-yl]octanoate.

Molecular Properties

Compound Namemethyl 8-[3-(4-methoxyphenyl)-2-oxo-4-phenylimidazolidin-1-yl]octanoate
PubChem CID70519784
Molecular FormulaC25H32N2O4
Molecular Weight424.54 g/mol
Exact Mass424.24
IUPAC Namemethyl 8-[3-(4-methoxyphenyl)-2-oxo-4-phenylimidazolidin-1-yl]octanoate
SMILESCOC(=O)CCCCCCCN1CC(c2ccccc2)N(c2ccc(OC)cc2)C1=O
InChIInChI=1S/C25H32N2O4/c1-30-22-16-14-21(15-17-22)27-23(20-11-7-6-8-12-20)19-26(25(27)29)18-10-5-3-4-9-13-24(28)31-2/h6-8,11-12,14-17,23H,3-5,9-10,13,18-19H2,1-2H3
InChIKeyAMLPSGNDAIKBSR-UHFFFAOYSA-N
XLogP5.19
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.54
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(4-methoxyphenyl)-2-oxo-4-phenylimidazolidin-1-yl]octanoate?
The IUPAC name of methyl 8-[3-(4-methoxyphenyl)-2-oxo-4-phenylimidazolidin-1-yl]octanoate (CID 70519784) is methyl 8-[3-(4-methoxyphenyl)-2-oxo-4-phenylimidazolidin-1-yl]octanoate.
What is the SMILES notation for methyl 8-[3-(4-methoxyphenyl)-2-oxo-4-phenylimidazolidin-1-yl]octanoate?
The canonical SMILES for methyl 8-[3-(4-methoxyphenyl)-2-oxo-4-phenylimidazolidin-1-yl]octanoate is COC(=O)CCCCCCCN1CC(c2ccccc2)N(c2ccc(OC)cc2)C1=O.
What is the InChIKey of methyl 8-[3-(4-methoxyphenyl)-2-oxo-4-phenylimidazolidin-1-yl]octanoate?
The InChIKey is AMLPSGNDAIKBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O4/c1-30-22-16-14-21(15-17-22)27-23(20-11-7-6-8-12-20)19-26(25(27)29)18-10-5-3-4-9-13-24(28)31-2/h6-8,11-12,14-17,23H,3-5,9-10,13,18-19H2,1-2H3.
What are the key properties of methyl 8-[3-(4-methoxyphenyl)-2-oxo-4-phenylimidazolidin-1-yl]octanoate?
methyl 8-[3-(4-methoxyphenyl)-2-oxo-4-phenylimidazolidin-1-yl]octanoate has a molecular weight of 424.54 g/mol, XLogP of 5.19, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-[3-(4-methoxyphenyl)-2-oxo-4-phenylimidazolidin-1-yl]octanoate is sourced from PubChem (CID 70519784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).