3-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]-5,5-dimethylimidazolidine-2,4-dione

C19H26N2O4 — CID 2216567

IUPAC3-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESC/C=C/c1ccc(OCCCCN2C(=O)NC(C)(C)C2=O)c(OC)c1
InChIInChI=1S/C19H26N2O4/c1-5-8-14-9-10-15(16(13-14)24-4)25-12-7-6-11-21-17(22)19(2,3)20-18(21)23/h5,8-10,13H,6-7,11-12H2,1-4H3,(H,20,23)/b8-5+
InChIKeyDYZRHGJGNVYZCH-VMPITWQZSA-N
MW346.43 g/mol
LogP3.22
Rot. Bonds8

About 3-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]-5,5-dimethylimidazolidine-2,4-dione

3-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 2216567) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is 3-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID2216567
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name3-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESC/C=C/c1ccc(OCCCCN2C(=O)NC(C)(C)C2=O)c(OC)c1
InChIInChI=1S/C19H26N2O4/c1-5-8-14-9-10-15(16(13-14)24-4)25-12-7-6-11-21-17(22)19(2,3)20-18(21)23/h5,8-10,13H,6-7,11-12H2,1-4H3,(H,20,23)/b8-5+
InChIKeyDYZRHGJGNVYZCH-VMPITWQZSA-N
XLogP3.22
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-((3-Butoxy-4-methoxyphenyl)methyl)-2-imidazolidinone
CID 5087
(4R)-4-(3-butoxy-4-methoxybenzyl)imidazolidin-2-one
CID 6603746
N-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]acetamide
CID 2969145
N-{1-[2-(3,4-Dimethoxy-phenyl)-ethyl]-2,5-dioxo-4-trifluoromethyl-imidazolidin-4-yl}-3-methyl-butyramide
CID 3651967
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-oxo-2-pyrrolidinylacetamide
CID 3114038
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(2-methoxyphenoxy)ethyl]acetamide
CID 8384866
2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-N-(propylcarbamoyl)acetamide
CID 16273759
Pyrrolidine-1,2-dicarboxylic acid 1-cyclohexylamide 2-{[2-(3,4-dimethoxy-phenyl)-ethyl]-amide}
CID 649772
3-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-5,5-dimethyl-2,4-imidazolidinedione
CID 973405
N-[2-(3,4-diethoxyphenyl)ethyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 2083905
5,5-Dimethyl-3-{4-[3-(trifluoromethyl)phenoxy]butyl}-2,4-imidazolidinedione
CID 2215972
3-{3-[2-Methoxy-4-(1-propen-1-yl)phenoxy]propyl}-5,5-dimethyl-2,4-imidazolidinedione
CID 2216263

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]-5,5-dimethylimidazolidine-2,4-dione (CID 2216567) is 3-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]-5,5-dimethylimidazolidine-2,4-dione is C/C=C/c1ccc(OCCCCN2C(=O)NC(C)(C)C2=O)c(OC)c1.
What is the InChIKey of 3-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is DYZRHGJGNVYZCH-VMPITWQZSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-5-8-14-9-10-15(16(13-14)24-4)25-12-7-6-11-21-17(22)19(2,3)20-18(21)23/h5,8-10,13H,6-7,11-12H2,1-4H3,(H,20,23)/b8-5+.
What are the key properties of 3-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 346.43 g/mol, XLogP of 3.22, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 2216567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).