1-(4-butoxyphenyl)-3-[4-[2-(dimethylamino)ethylamino]cyclohexyl]-4-methylimidazolidin-2-one

C24H40N4O2 — CID 143081431

IUPAC1-(4-butoxyphenyl)-3-[4-[2-(dimethylamino)ethylamino]cyclohexyl]-4-methylimidazolidin-2-one
SMILESCCCCOc1ccc(N2CC(C)N(C3CCC(NCCN(C)C)CC3)C2=O)cc1
InChIInChI=1S/C24H40N4O2/c1-5-6-17-30-23-13-11-21(12-14-23)27-18-19(2)28(24(27)29)22-9-7-20(8-10-22)25-15-16-26(3)4/h11-14,19-20,22,25H,5-10,15-18H2,1-4H3
InChIKeyIKNGFJSBLNRIEQ-UHFFFAOYSA-N
MW416.61 g/mol
LogP3.96
Rot. Bonds10

About 1-(4-butoxyphenyl)-3-[4-[2-(dimethylamino)ethylamino]cyclohexyl]-4-methylimidazolidin-2-one

1-(4-butoxyphenyl)-3-[4-[2-(dimethylamino)ethylamino]cyclohexyl]-4-methylimidazolidin-2-one (PubChem CID 143081431) has the molecular formula C24H40N4O2 and a molecular weight of 416.61 g/mol. Its IUPAC name is 1-(4-butoxyphenyl)-3-[4-[2-(dimethylamino)ethylamino]cyclohexyl]-4-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-(4-butoxyphenyl)-3-[4-[2-(dimethylamino)ethylamino]cyclohexyl]-4-methylimidazolidin-2-one
PubChem CID143081431
Molecular FormulaC24H40N4O2
Molecular Weight416.61 g/mol
Exact Mass416.32
IUPAC Name1-(4-butoxyphenyl)-3-[4-[2-(dimethylamino)ethylamino]cyclohexyl]-4-methylimidazolidin-2-one
SMILESCCCCOc1ccc(N2CC(C)N(C3CCC(NCCN(C)C)CC3)C2=O)cc1
InChIInChI=1S/C24H40N4O2/c1-5-6-17-30-23-13-11-21(12-14-23)27-18-19(2)28(24(27)29)22-9-7-20(8-10-22)25-15-16-26(3)4/h11-14,19-20,22,25H,5-10,15-18H2,1-4H3
InChIKeyIKNGFJSBLNRIEQ-UHFFFAOYSA-N
XLogP3.96
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.61
LogP ≤ 53.96
H-Bond Donors ≤ 51
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 1-(4-butoxyphenyl)-3-[4-[2-(dimethylamino)ethylamino]cyclohexyl]-4-methylimidazolidin-2-one?
The IUPAC name of 1-(4-butoxyphenyl)-3-[4-[2-(dimethylamino)ethylamino]cyclohexyl]-4-methylimidazolidin-2-one (CID 143081431) is 1-(4-butoxyphenyl)-3-[4-[2-(dimethylamino)ethylamino]cyclohexyl]-4-methylimidazolidin-2-one.
What is the SMILES notation for 1-(4-butoxyphenyl)-3-[4-[2-(dimethylamino)ethylamino]cyclohexyl]-4-methylimidazolidin-2-one?
The canonical SMILES for 1-(4-butoxyphenyl)-3-[4-[2-(dimethylamino)ethylamino]cyclohexyl]-4-methylimidazolidin-2-one is CCCCOc1ccc(N2CC(C)N(C3CCC(NCCN(C)C)CC3)C2=O)cc1.
What is the InChIKey of 1-(4-butoxyphenyl)-3-[4-[2-(dimethylamino)ethylamino]cyclohexyl]-4-methylimidazolidin-2-one?
The InChIKey is IKNGFJSBLNRIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40N4O2/c1-5-6-17-30-23-13-11-21(12-14-23)27-18-19(2)28(24(27)29)22-9-7-20(8-10-22)25-15-16-26(3)4/h11-14,19-20,22,25H,5-10,15-18H2,1-4H3.
What are the key properties of 1-(4-butoxyphenyl)-3-[4-[2-(dimethylamino)ethylamino]cyclohexyl]-4-methylimidazolidin-2-one?
1-(4-butoxyphenyl)-3-[4-[2-(dimethylamino)ethylamino]cyclohexyl]-4-methylimidazolidin-2-one has a molecular weight of 416.61 g/mol, XLogP of 3.96, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butoxyphenyl)-3-[4-[2-(dimethylamino)ethylamino]cyclohexyl]-4-methylimidazolidin-2-one is sourced from PubChem (CID 143081431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).