(4R)-4-[(3-butoxy-4-methoxyphenyl)methyl]imidazolidin-2-one

C15H22N2O3 — CID 6603746

IUPAC(4R)-4-[(3-butoxy-4-methoxyphenyl)methyl]imidazolidin-2-one
SMILESCCCCOc1cc(C[C@@H]2CNC(=O)N2)ccc1OC
InChIInChI=1S/C15H22N2O3/c1-3-4-7-20-14-9-11(5-6-13(14)19-2)8-12-10-16-15(18)17-12/h5-6,9,12H,3-4,7-8,10H2,1-2H3,(H2,16,17,18)/t12-/m1/s1
InChIKeyPDMUULPVBYQBBK-GFCCVEGCSA-N
MW278.35 g/mol
LogP2.10
Rot. Bonds7

About (4R)-4-[(3-butoxy-4-methoxyphenyl)methyl]imidazolidin-2-one

(4R)-4-[(3-butoxy-4-methoxyphenyl)methyl]imidazolidin-2-one (PubChem CID 6603746) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is (4R)-4-[(3-butoxy-4-methoxyphenyl)methyl]imidazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(3-butoxy-4-methoxyphenyl)methyl]imidazolidin-2-one
PubChem CID6603746
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name(4R)-4-[(3-butoxy-4-methoxyphenyl)methyl]imidazolidin-2-one
SMILESCCCCOc1cc(C[C@@H]2CNC(=O)N2)ccc1OC
InChIInChI=1S/C15H22N2O3/c1-3-4-7-20-14-9-11(5-6-13(14)19-2)8-12-10-16-15(18)17-12/h5-6,9,12H,3-4,7-8,10H2,1-2H3,(H2,16,17,18)/t12-/m1/s1
InChIKeyPDMUULPVBYQBBK-GFCCVEGCSA-N
XLogP2.10
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-((3-Butoxy-4-methoxyphenyl)methyl)-2-imidazolidinone
CID 5087
N-Acetyl-3,4-dimethoxyphenethylamine
CID 80465
Edma
CID 24257269
5-((3-(Cyclopentyloxy)-4-methoxyphenyl)methyl)-4,5-dihydro-1H-imidazol-2-ol
CID 3058801
N-(2-(3,4-Dimethoxyphenyl)ethyl)urea
CID 95288
n-[2-(3,4-Dimethoxyphenyl)ethyl]propanamide
CID 234679
N-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]acetamide
CID 2969145
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine
CID 2998792
N-[2-(3,4-dimethoxyphenyl)ethyl]formamide
CID 84337
N-[3-(4-allyl-2-methoxyphenoxy)propyl]-N-cyclopentylamine
CID 1825700
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-oxo-2-pyrrolidinylacetamide
CID 3114038
2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-N-(propylcarbamoyl)acetamide
CID 16273759

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(3-butoxy-4-methoxyphenyl)methyl]imidazolidin-2-one?
The IUPAC name of (4R)-4-[(3-butoxy-4-methoxyphenyl)methyl]imidazolidin-2-one (CID 6603746) is (4R)-4-[(3-butoxy-4-methoxyphenyl)methyl]imidazolidin-2-one.
What is the SMILES notation for (4R)-4-[(3-butoxy-4-methoxyphenyl)methyl]imidazolidin-2-one?
The canonical SMILES for (4R)-4-[(3-butoxy-4-methoxyphenyl)methyl]imidazolidin-2-one is CCCCOc1cc(C[C@@H]2CNC(=O)N2)ccc1OC.
What is the InChIKey of (4R)-4-[(3-butoxy-4-methoxyphenyl)methyl]imidazolidin-2-one?
The InChIKey is PDMUULPVBYQBBK-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-3-4-7-20-14-9-11(5-6-13(14)19-2)8-12-10-16-15(18)17-12/h5-6,9,12H,3-4,7-8,10H2,1-2H3,(H2,16,17,18)/t12-/m1/s1.
What are the key properties of (4R)-4-[(3-butoxy-4-methoxyphenyl)methyl]imidazolidin-2-one?
(4R)-4-[(3-butoxy-4-methoxyphenyl)methyl]imidazolidin-2-one has a molecular weight of 278.35 g/mol, XLogP of 2.10, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(3-butoxy-4-methoxyphenyl)methyl]imidazolidin-2-one is sourced from PubChem (CID 6603746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).