4-[(E)-3-hydroxyoct-1-enyl]-1-methyl-3-(phenylmethoxymethyl)imidazolidin-2-one

C20H30N2O3 — CID 70498767

IUPAC4-[(E)-3-hydroxyoct-1-enyl]-1-methyl-3-(phenylmethoxymethyl)imidazolidin-2-one
SMILESCCCCCC(O)/C=C/C1CN(C)C(=O)N1COCc1ccccc1
InChIInChI=1S/C20H30N2O3/c1-3-4-6-11-19(23)13-12-18-14-21(2)20(24)22(18)16-25-15-17-9-7-5-8-10-17/h5,7-10,12-13,18-19,23H,3-4,6,11,14-16H2,1-2H3/b13-12+
InChIKeyNYEKFPLPKOYTGJ-OUKQBFOZSA-N
MW346.47 g/mol
LogP3.39
Rot. Bonds10

About 4-[(E)-3-hydroxyoct-1-enyl]-1-methyl-3-(phenylmethoxymethyl)imidazolidin-2-one

4-[(E)-3-hydroxyoct-1-enyl]-1-methyl-3-(phenylmethoxymethyl)imidazolidin-2-one (PubChem CID 70498767) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 4-[(E)-3-hydroxyoct-1-enyl]-1-methyl-3-(phenylmethoxymethyl)imidazolidin-2-one.

Molecular Properties

Compound Name4-[(E)-3-hydroxyoct-1-enyl]-1-methyl-3-(phenylmethoxymethyl)imidazolidin-2-one
PubChem CID70498767
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name4-[(E)-3-hydroxyoct-1-enyl]-1-methyl-3-(phenylmethoxymethyl)imidazolidin-2-one
SMILESCCCCCC(O)/C=C/C1CN(C)C(=O)N1COCc1ccccc1
InChIInChI=1S/C20H30N2O3/c1-3-4-6-11-19(23)13-12-18-14-21(2)20(24)22(18)16-25-15-17-9-7-5-8-10-17/h5,7-10,12-13,18-19,23H,3-4,6,11,14-16H2,1-2H3/b13-12+
InChIKeyNYEKFPLPKOYTGJ-OUKQBFOZSA-N
XLogP3.39
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

benzoyl 5-(3-hydroxyoct-1-enyl)-3-methyl-2-oxoimidazolidine-1-carboxylate
CID 54179656
[3-methyl-2-oxo-5-(3-oxooct-1-enyl)imidazolidin-1-yl]methyl benzoate
CID 56976613
4-[2-[(2S)-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxopyrrolidin-1-yl]ethyl]benzoic acid
CID 69249663
4-[2-[(2S)-2-[(3R)-3-hydroxyoct-1-enyl]-5-oxopyrrolidin-1-yl]ethyl]benzoic acid
CID 69250286
methyl 4-[2-[3,3-difluoro-5-(3-hydroxyoct-1-enyl)-2-oxopyrrolidin-1-yl]ethyl]benzoate
CID 123870301
methyl 7-[(5R)-3,3-difluoro-5-[(E)-3-hydroxy-7-phenylhept-1-enyl]-2-oxopyrrolidin-1-yl]heptanoate
CID 72950257
tert-butyl (2S,5S,6S)-6-[(E,3S)-3-hydroxynon-1-enyl]-2-(phenylmethoxymethyl)-1-azaspiro[4.5]decane-1-carboxylate
CID 11443411
4-[2-[(2R)-2-[(3S)-3-hydroxyoct-1-enyl]-3-oxopyrrolidin-1-yl]ethyl]benzoic acid
CID 91264780
7-[2-[(3R)-3-hydroxyoct-1-enyl]-6-oxopiperidin-1-yl]heptanoic acid
CID 91518834
7-[2-[(E)-3-hydroxyoct-1-enyl]-5-oxopyrrolidin-1-yl]-2-methylheptanoic acid
CID 22770548
7-[(2R)-2-(3-hydroxyoct-1-enyl)-6-oxopiperidin-1-yl]heptanoic acid
CID 69020366
methyl 2-[4-[(2R)-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxopyrrolidin-1-yl]butoxy]acetate
CID 59984991

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3-hydroxyoct-1-enyl]-1-methyl-3-(phenylmethoxymethyl)imidazolidin-2-one?
The IUPAC name of 4-[(E)-3-hydroxyoct-1-enyl]-1-methyl-3-(phenylmethoxymethyl)imidazolidin-2-one (CID 70498767) is 4-[(E)-3-hydroxyoct-1-enyl]-1-methyl-3-(phenylmethoxymethyl)imidazolidin-2-one.
What is the SMILES notation for 4-[(E)-3-hydroxyoct-1-enyl]-1-methyl-3-(phenylmethoxymethyl)imidazolidin-2-one?
The canonical SMILES for 4-[(E)-3-hydroxyoct-1-enyl]-1-methyl-3-(phenylmethoxymethyl)imidazolidin-2-one is CCCCCC(O)/C=C/C1CN(C)C(=O)N1COCc1ccccc1.
What is the InChIKey of 4-[(E)-3-hydroxyoct-1-enyl]-1-methyl-3-(phenylmethoxymethyl)imidazolidin-2-one?
The InChIKey is NYEKFPLPKOYTGJ-OUKQBFOZSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-3-4-6-11-19(23)13-12-18-14-21(2)20(24)22(18)16-25-15-17-9-7-5-8-10-17/h5,7-10,12-13,18-19,23H,3-4,6,11,14-16H2,1-2H3/b13-12+.
What are the key properties of 4-[(E)-3-hydroxyoct-1-enyl]-1-methyl-3-(phenylmethoxymethyl)imidazolidin-2-one?
4-[(E)-3-hydroxyoct-1-enyl]-1-methyl-3-(phenylmethoxymethyl)imidazolidin-2-one has a molecular weight of 346.47 g/mol, XLogP of 3.39, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3-hydroxyoct-1-enyl]-1-methyl-3-(phenylmethoxymethyl)imidazolidin-2-one is sourced from PubChem (CID 70498767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).