3-[1-[2-(2-methoxyphenyl)acetyl]azetidin-3-yl]imidazolidine-2,4-dione

C15H17N3O4 — CID 121159517

IUPAC3-[1-[2-(2-methoxyphenyl)acetyl]azetidin-3-yl]imidazolidine-2,4-dione
SMILESCOc1ccccc1CC(=O)N1CC(N2C(=O)CNC2=O)C1
InChIInChI=1S/C15H17N3O4/c1-22-12-5-3-2-4-10(12)6-13(19)17-8-11(9-17)18-14(20)7-16-15(18)21/h2-5,11H,6-9H2,1H3,(H,16,21)
InChIKeyIVYDNYRGCHUKPF-UHFFFAOYSA-N
MW303.32 g/mol
LogP0.00
Rot. Bonds4

About 3-[1-[2-(2-methoxyphenyl)acetyl]azetidin-3-yl]imidazolidine-2,4-dione

3-[1-[2-(2-methoxyphenyl)acetyl]azetidin-3-yl]imidazolidine-2,4-dione (PubChem CID 121159517) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is 3-[1-[2-(2-methoxyphenyl)acetyl]azetidin-3-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[1-[2-(2-methoxyphenyl)acetyl]azetidin-3-yl]imidazolidine-2,4-dione
PubChem CID121159517
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Name3-[1-[2-(2-methoxyphenyl)acetyl]azetidin-3-yl]imidazolidine-2,4-dione
SMILESCOc1ccccc1CC(=O)N1CC(N2C(=O)CNC2=O)C1
InChIInChI=1S/C15H17N3O4/c1-22-12-5-3-2-4-10(12)6-13(19)17-8-11(9-17)18-14(20)7-16-15(18)21/h2-5,11H,6-9H2,1H3,(H,16,21)
InChIKeyIVYDNYRGCHUKPF-UHFFFAOYSA-N
XLogP0.00
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 50.00
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

3-[1-(2,6-dimethoxybenzoyl)pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121159752
1-(3-amino-5-methylpiperidin-1-yl)-2-(2-methoxyphenyl)ethanone
CID 79993746
3-[1-(4-phenylbutanoyl)azetidin-3-yl]imidazolidine-2,4-dione
CID 121159452
3-[1-(2-benzylsulfanylacetyl)azetidin-3-yl]imidazolidine-2,4-dione
CID 121017227
2-(2-methoxyphenyl)-1-[(3R)-3-pyrrolidin-1-ylazepan-1-yl]ethanone
CID 95616147
2-(2-methoxyphenyl)-1-[(3S)-3-pyrrolidin-1-ylazepan-1-yl]ethanone
CID 95616146
3-[1-(4-methoxy-6-oxo-1-phenylpyridine-3-carbonyl)azetidin-3-yl]imidazolidine-2,4-dione
CID 121017264
1-[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 72849634
1-cyclopropyl-4-[2-(2-methoxyphenyl)acetyl]-3H-quinoxalin-2-one
CID 110713626
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 81469940
1-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]-2-(2-methoxyphenyl)ethanone;hydrochloride
CID 121017192
1-(4-bromopiperidin-1-yl)-2-(2-methoxyphenyl)ethanone
CID 80661576

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(2-methoxyphenyl)acetyl]azetidin-3-yl]imidazolidine-2,4-dione?
The IUPAC name of 3-[1-[2-(2-methoxyphenyl)acetyl]azetidin-3-yl]imidazolidine-2,4-dione (CID 121159517) is 3-[1-[2-(2-methoxyphenyl)acetyl]azetidin-3-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[1-[2-(2-methoxyphenyl)acetyl]azetidin-3-yl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[1-[2-(2-methoxyphenyl)acetyl]azetidin-3-yl]imidazolidine-2,4-dione is COc1ccccc1CC(=O)N1CC(N2C(=O)CNC2=O)C1.
What is the InChIKey of 3-[1-[2-(2-methoxyphenyl)acetyl]azetidin-3-yl]imidazolidine-2,4-dione?
The InChIKey is IVYDNYRGCHUKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-22-12-5-3-2-4-10(12)6-13(19)17-8-11(9-17)18-14(20)7-16-15(18)21/h2-5,11H,6-9H2,1H3,(H,16,21).
What are the key properties of 3-[1-[2-(2-methoxyphenyl)acetyl]azetidin-3-yl]imidazolidine-2,4-dione?
3-[1-[2-(2-methoxyphenyl)acetyl]azetidin-3-yl]imidazolidine-2,4-dione has a molecular weight of 303.32 g/mol, XLogP of 0.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(2-methoxyphenyl)acetyl]azetidin-3-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 121159517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).