3-(3-methoxypropyl)-5-phenyl-2-propan-2-ylimidazolidin-4-one

C16H24N2O2 — CID 83243404

IUPAC3-(3-methoxypropyl)-5-phenyl-2-propan-2-ylimidazolidin-4-one
SMILESCOCCCN1C(=O)C(c2ccccc2)NC1C(C)C
InChIInChI=1S/C16H24N2O2/c1-12(2)15-17-14(13-8-5-4-6-9-13)16(19)18(15)10-7-11-20-3/h4-6,8-9,12,14-15,17H,7,10-11H2,1-3H3
InChIKeyBQBSVIUBZHAVSZ-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.18
Rot. Bonds6

About 3-(3-methoxypropyl)-5-phenyl-2-propan-2-ylimidazolidin-4-one

3-(3-methoxypropyl)-5-phenyl-2-propan-2-ylimidazolidin-4-one (PubChem CID 83243404) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-(3-methoxypropyl)-5-phenyl-2-propan-2-ylimidazolidin-4-one.

Molecular Properties

Compound Name3-(3-methoxypropyl)-5-phenyl-2-propan-2-ylimidazolidin-4-one
PubChem CID83243404
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name3-(3-methoxypropyl)-5-phenyl-2-propan-2-ylimidazolidin-4-one
SMILESCOCCCN1C(=O)C(c2ccccc2)NC1C(C)C
InChIInChI=1S/C16H24N2O2/c1-12(2)15-17-14(13-8-5-4-6-9-13)16(19)18(15)10-7-11-20-3/h4-6,8-9,12,14-15,17H,7,10-11H2,1-3H3
InChIKeyBQBSVIUBZHAVSZ-UHFFFAOYSA-N
XLogP2.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-methoxybutyl)-2-methyl-5-phenylimidazolidin-4-one
CID 83246112
3-(3-methoxypropyl)-5-(2-methylpropyl)-2-propan-2-ylimidazolidin-4-one
CID 83243563
5-ethyl-3-(4-methoxybutyl)-2-propan-2-ylimidazolidin-4-one
CID 83245585
3-[2-(2-methoxyethoxy)ethyl]-2-methyl-5-phenylimidazolidin-4-one
CID 83246312
1-(4-methoxybutyl)-3-phenyl-1,4-diazepane-2,5-dione
CID 64967329
3-(3-methoxypropyl)-2-(4-methylphenyl)-5-propan-2-ylimidazolidin-4-one
CID 83246477
1-(3-fluoropropyl)-3-phenyl-6-propan-2-ylpiperazine-2,5-dione
CID 81113457
1-(4-methoxybutyl)-3-methyl-6-phenylpiperazine-2,5-dione
CID 64967402
2-(2-methylpropyl)-5-phenyl-3-propylimidazolidin-4-one
CID 83243033
1-(4-methoxybutan-2-yl)-3-phenyl-1,4-diazepane-2,5-dione
CID 64973109
1-(3-methoxypropyl)-5-phenyl-2-propan-2-ylpiperazine
CID 64877844
2,3-bis(2-methylpropyl)-5-phenylimidazolidin-4-one
CID 83243088

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxypropyl)-5-phenyl-2-propan-2-ylimidazolidin-4-one?
The IUPAC name of 3-(3-methoxypropyl)-5-phenyl-2-propan-2-ylimidazolidin-4-one (CID 83243404) is 3-(3-methoxypropyl)-5-phenyl-2-propan-2-ylimidazolidin-4-one.
What is the SMILES notation for 3-(3-methoxypropyl)-5-phenyl-2-propan-2-ylimidazolidin-4-one?
The canonical SMILES for 3-(3-methoxypropyl)-5-phenyl-2-propan-2-ylimidazolidin-4-one is COCCCN1C(=O)C(c2ccccc2)NC1C(C)C.
What is the InChIKey of 3-(3-methoxypropyl)-5-phenyl-2-propan-2-ylimidazolidin-4-one?
The InChIKey is BQBSVIUBZHAVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12(2)15-17-14(13-8-5-4-6-9-13)16(19)18(15)10-7-11-20-3/h4-6,8-9,12,14-15,17H,7,10-11H2,1-3H3.
What are the key properties of 3-(3-methoxypropyl)-5-phenyl-2-propan-2-ylimidazolidin-4-one?
3-(3-methoxypropyl)-5-phenyl-2-propan-2-ylimidazolidin-4-one has a molecular weight of 276.38 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypropyl)-5-phenyl-2-propan-2-ylimidazolidin-4-one is sourced from PubChem (CID 83243404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).