3-[(5-acetyl-2-methoxyphenyl)methyl]-5,5-dicyclopropylimidazolidine-2,4-dione

C19H22N2O4 — CID 51106612

IUPAC3-[(5-acetyl-2-methoxyphenyl)methyl]-5,5-dicyclopropylimidazolidine-2,4-dione
SMILESCOc1ccc(C(C)=O)cc1CN1C(=O)NC(C2CC2)(C2CC2)C1=O
InChIInChI=1S/C19H22N2O4/c1-11(22)12-3-8-16(25-2)13(9-12)10-21-17(23)19(14-4-5-14,15-6-7-15)20-18(21)24/h3,8-9,14-15H,4-7,10H2,1-2H3,(H,20,24)
InChIKeyIAUBNQPBWIWRRA-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.51
Rot. Bonds6

About 3-[(5-acetyl-2-methoxyphenyl)methyl]-5,5-dicyclopropylimidazolidine-2,4-dione

3-[(5-acetyl-2-methoxyphenyl)methyl]-5,5-dicyclopropylimidazolidine-2,4-dione (PubChem CID 51106612) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is 3-[(5-acetyl-2-methoxyphenyl)methyl]-5,5-dicyclopropylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(5-acetyl-2-methoxyphenyl)methyl]-5,5-dicyclopropylimidazolidine-2,4-dione
PubChem CID51106612
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name3-[(5-acetyl-2-methoxyphenyl)methyl]-5,5-dicyclopropylimidazolidine-2,4-dione
SMILESCOc1ccc(C(C)=O)cc1CN1C(=O)NC(C2CC2)(C2CC2)C1=O
InChIInChI=1S/C19H22N2O4/c1-11(22)12-3-8-16(25-2)13(9-12)10-21-17(23)19(14-4-5-14,15-6-7-15)20-18(21)24/h3,8-9,14-15H,4-7,10H2,1-2H3,(H,20,24)
InChIKeyIAUBNQPBWIWRRA-UHFFFAOYSA-N
XLogP2.51
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3'-[(5-acetyl-2-methoxyphenyl)methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione
CID 2466972
(5R)-3-[(5-acetyl-2-methoxyphenyl)methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 2128781
3-[(5-acetyl-2-methoxyphenyl)methyl]-5-(2-bromophenyl)-5-methylimidazolidine-2,4-dione
CID 4034522
(4R)-3'-[(5-acetyl-2-methoxyphenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 2706160
(5S)-3-[(5-acetyl-2-methoxyphenyl)methyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione
CID 7801344
1-[(5-acetyl-2-methoxyphenyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 79179153
(5S)-3-[(5-acetyl-2-ethoxyphenyl)methyl]-5-cyclohexyl-5-methylimidazolidine-2,4-dione
CID 7043517
(5S)-3-[(5-acetyl-2-methoxyphenyl)methyl]-5-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione
CID 8506852
(5R)-3-[(5-acetyl-2-methoxyphenyl)methyl]-5-cyclohexylimidazolidine-2,4-dione
CID 2694541
1-[3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-4-methoxyphenyl]ethanone
CID 83136835
(5R)-3-[(5-acetyl-2-methoxyphenyl)methyl]-5-methyl-5-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
CID 51951367
3-[(5-acetyl-2-ethoxyphenyl)methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2998699

Frequently Asked Questions

What is the IUPAC name of 3-[(5-acetyl-2-methoxyphenyl)methyl]-5,5-dicyclopropylimidazolidine-2,4-dione?
The IUPAC name of 3-[(5-acetyl-2-methoxyphenyl)methyl]-5,5-dicyclopropylimidazolidine-2,4-dione (CID 51106612) is 3-[(5-acetyl-2-methoxyphenyl)methyl]-5,5-dicyclopropylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[(5-acetyl-2-methoxyphenyl)methyl]-5,5-dicyclopropylimidazolidine-2,4-dione?
The canonical SMILES for 3-[(5-acetyl-2-methoxyphenyl)methyl]-5,5-dicyclopropylimidazolidine-2,4-dione is COc1ccc(C(C)=O)cc1CN1C(=O)NC(C2CC2)(C2CC2)C1=O.
What is the InChIKey of 3-[(5-acetyl-2-methoxyphenyl)methyl]-5,5-dicyclopropylimidazolidine-2,4-dione?
The InChIKey is IAUBNQPBWIWRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-11(22)12-3-8-16(25-2)13(9-12)10-21-17(23)19(14-4-5-14,15-6-7-15)20-18(21)24/h3,8-9,14-15H,4-7,10H2,1-2H3,(H,20,24).
What are the key properties of 3-[(5-acetyl-2-methoxyphenyl)methyl]-5,5-dicyclopropylimidazolidine-2,4-dione?
3-[(5-acetyl-2-methoxyphenyl)methyl]-5,5-dicyclopropylimidazolidine-2,4-dione has a molecular weight of 342.40 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-acetyl-2-methoxyphenyl)methyl]-5,5-dicyclopropylimidazolidine-2,4-dione is sourced from PubChem (CID 51106612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).