8-(3-methyl-2-oxo-5-phenylimidazolidin-1-yl)octanoic acid

C18H26N2O3 — CID 70520475

IUPAC8-(3-methyl-2-oxo-5-phenylimidazolidin-1-yl)octanoic acid
SMILESCN1CC(c2ccccc2)N(CCCCCCCC(=O)O)C1=O
InChIInChI=1S/C18H26N2O3/c1-19-14-16(15-10-6-5-7-11-15)20(18(19)23)13-9-4-2-3-8-12-17(21)22/h5-7,10-11,16H,2-4,8-9,12-14H2,1H3,(H,21,22)
InChIKeyBKKDEMMJXGPDGB-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.52
Rot. Bonds9

About 8-(3-methyl-2-oxo-5-phenylimidazolidin-1-yl)octanoic acid

8-(3-methyl-2-oxo-5-phenylimidazolidin-1-yl)octanoic acid (PubChem CID 70520475) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 8-(3-methyl-2-oxo-5-phenylimidazolidin-1-yl)octanoic acid.

Molecular Properties

Compound Name8-(3-methyl-2-oxo-5-phenylimidazolidin-1-yl)octanoic acid
PubChem CID70520475
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name8-(3-methyl-2-oxo-5-phenylimidazolidin-1-yl)octanoic acid
SMILESCN1CC(c2ccccc2)N(CCCCCCCC(=O)O)C1=O
InChIInChI=1S/C18H26N2O3/c1-19-14-16(15-10-6-5-7-11-15)20(18(19)23)13-9-4-2-3-8-12-17(21)22/h5-7,10-11,16H,2-4,8-9,12-14H2,1H3,(H,21,22)
InChIKeyBKKDEMMJXGPDGB-UHFFFAOYSA-N
XLogP3.52
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

8-[3-(4-fluorophenyl)-2-oxo-4-phenylimidazolidin-1-yl]octanoic acid
CID 70520124
11-[(2S)-3-acetyl-4-hydroxy-5-oxo-2-phenyl-2H-pyrrol-1-yl]undecanoic acid
CID 28843390
7-[(2R)-2-(4-tert-butylphenyl)-4-oxoazetidin-1-yl]heptanoic acid
CID 59207913
6-[(4E)-4-[hydroxy(phenyl)methylidene]-2,3-dioxo-5-phenylpyrrolidin-1-yl]hexanoic acid
CID 5310646
5-(2-methyl-2H-1,3-benzothiazol-3-yl)pentanoic acid
CID 174552873
6-[(4Z)-4-[hydroxy-(4-methylphenyl)methylidene]-2,3-dioxo-5-phenylpyrrolidin-1-yl]hexanoic acid
CID 5345304
decanedioic acid;phthalic acid
CID 67564124
4-(2-phenylaziridin-1-yl)butan-2-one
CID 561043
6-(1,3-dioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl)hexanoic acid
CID 4869128
6-[(10aS)-1,3-dioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl]hexanoic acid
CID 7096678
4-[(2-phenylazetidine-1-carbonyl)amino]butanoic acid
CID 122021569
3-(3-methyl-2-oxo-4-phenylimidazolidin-1-yl)butanoic acid
CID 116982137

Frequently Asked Questions

What is the IUPAC name of 8-(3-methyl-2-oxo-5-phenylimidazolidin-1-yl)octanoic acid?
The IUPAC name of 8-(3-methyl-2-oxo-5-phenylimidazolidin-1-yl)octanoic acid (CID 70520475) is 8-(3-methyl-2-oxo-5-phenylimidazolidin-1-yl)octanoic acid.
What is the SMILES notation for 8-(3-methyl-2-oxo-5-phenylimidazolidin-1-yl)octanoic acid?
The canonical SMILES for 8-(3-methyl-2-oxo-5-phenylimidazolidin-1-yl)octanoic acid is CN1CC(c2ccccc2)N(CCCCCCCC(=O)O)C1=O.
What is the InChIKey of 8-(3-methyl-2-oxo-5-phenylimidazolidin-1-yl)octanoic acid?
The InChIKey is BKKDEMMJXGPDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-19-14-16(15-10-6-5-7-11-15)20(18(19)23)13-9-4-2-3-8-12-17(21)22/h5-7,10-11,16H,2-4,8-9,12-14H2,1H3,(H,21,22).
What are the key properties of 8-(3-methyl-2-oxo-5-phenylimidazolidin-1-yl)octanoic acid?
8-(3-methyl-2-oxo-5-phenylimidazolidin-1-yl)octanoic acid has a molecular weight of 318.42 g/mol, XLogP of 3.52, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-methyl-2-oxo-5-phenylimidazolidin-1-yl)octanoic acid is sourced from PubChem (CID 70520475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).