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

C17H26N2O2 — CID 83246477

IUPAC3-(3-methoxypropyl)-2-(4-methylphenyl)-5-propan-2-ylimidazolidin-4-one
SMILESCOCCCN1C(=O)C(C(C)C)NC1c1ccc(C)cc1
InChIInChI=1S/C17H26N2O2/c1-12(2)15-17(20)19(10-5-11-21-4)16(18-15)14-8-6-13(3)7-9-14/h6-9,12,15-16,18H,5,10-11H2,1-4H3
InChIKeyGZIRTHLMXZRPKM-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.49
Rot. Bonds6

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

3-(3-methoxypropyl)-2-(4-methylphenyl)-5-propan-2-ylimidazolidin-4-one (PubChem CID 83246477) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-(3-methoxypropyl)-2-(4-methylphenyl)-5-propan-2-ylimidazolidin-4-one.

Molecular Properties

Compound Name3-(3-methoxypropyl)-2-(4-methylphenyl)-5-propan-2-ylimidazolidin-4-one
PubChem CID83246477
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name3-(3-methoxypropyl)-2-(4-methylphenyl)-5-propan-2-ylimidazolidin-4-one
SMILESCOCCCN1C(=O)C(C(C)C)NC1c1ccc(C)cc1
InChIInChI=1S/C17H26N2O2/c1-12(2)15-17(20)19(10-5-11-21-4)16(18-15)14-8-6-13(3)7-9-14/h6-9,12,15-16,18H,5,10-11H2,1-4H3
InChIKeyGZIRTHLMXZRPKM-UHFFFAOYSA-N
XLogP2.49
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.49
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

2-(4-chlorophenyl)-3-(2-methoxyethyl)-5-propan-2-ylimidazolidin-4-one
CID 83242547
3-(4-methoxybutyl)-2-(5-methylthiophen-2-yl)-5-propan-2-ylimidazolidin-4-one
CID 83245582
3-(2-ethoxyethyl)-2-(4-fluorophenyl)-5-propan-2-ylimidazolidin-4-one
CID 83232224
5-ethyl-2-(4-ethylphenyl)-3-(3-methoxypropyl)imidazolidin-4-one
CID 83246243
2-(3-fluorophenyl)-3-(2-methoxyethyl)-5-propan-2-ylimidazolidin-4-one
CID 83242956
5-butan-2-yl-2-(4-chlorophenyl)-3-(2-methoxyethyl)imidazolidin-4-one
CID 83246998
5-methyl-2-(4-methylphenyl)-3-(2-propan-2-yloxyethyl)imidazolidin-4-one
CID 114983327
3-butyl-2-(2,4-dimethylphenyl)-5-propan-2-ylimidazolidin-4-one
CID 83237723
5-butan-2-yl-3-(2-methoxyethyl)-2-(3-methylphenyl)imidazolidin-4-one
CID 83247255
3-(2-methylpropyl)-2-phenyl-5-propan-2-ylimidazolidin-4-one
CID 83242661
3-ethyl-2-(4-methylsulfanylphenyl)-5-propan-2-ylimidazolidin-4-one
CID 83239609
6-ethyl-1-(3-methoxypropyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64874647

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxypropyl)-2-(4-methylphenyl)-5-propan-2-ylimidazolidin-4-one?
The IUPAC name of 3-(3-methoxypropyl)-2-(4-methylphenyl)-5-propan-2-ylimidazolidin-4-one (CID 83246477) is 3-(3-methoxypropyl)-2-(4-methylphenyl)-5-propan-2-ylimidazolidin-4-one.
What is the SMILES notation for 3-(3-methoxypropyl)-2-(4-methylphenyl)-5-propan-2-ylimidazolidin-4-one?
The canonical SMILES for 3-(3-methoxypropyl)-2-(4-methylphenyl)-5-propan-2-ylimidazolidin-4-one is COCCCN1C(=O)C(C(C)C)NC1c1ccc(C)cc1.
What is the InChIKey of 3-(3-methoxypropyl)-2-(4-methylphenyl)-5-propan-2-ylimidazolidin-4-one?
The InChIKey is GZIRTHLMXZRPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-12(2)15-17(20)19(10-5-11-21-4)16(18-15)14-8-6-13(3)7-9-14/h6-9,12,15-16,18H,5,10-11H2,1-4H3.
What are the key properties of 3-(3-methoxypropyl)-2-(4-methylphenyl)-5-propan-2-ylimidazolidin-4-one?
3-(3-methoxypropyl)-2-(4-methylphenyl)-5-propan-2-ylimidazolidin-4-one has a molecular weight of 290.41 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypropyl)-2-(4-methylphenyl)-5-propan-2-ylimidazolidin-4-one is sourced from PubChem (CID 83246477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).