(2S)-3-methyl-1-(4-phenoxybutanoyl)-2-phenylimidazolidin-4-one

C20H22N2O3 — CID 99791305

IUPAC(2S)-3-methyl-1-(4-phenoxybutanoyl)-2-phenylimidazolidin-4-one
SMILESCN1C(=O)CN(C(=O)CCCOc2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C20H22N2O3/c1-21-19(24)15-22(20(21)16-9-4-2-5-10-16)18(23)13-8-14-25-17-11-6-3-7-12-17/h2-7,9-12,20H,8,13-15H2,1H3/t20-/m0/s1
InChIKeyBAWYLRWITVZNOB-FQEVSTJZSA-N
MW338.41 g/mol
LogP2.85
Rot. Bonds6

About (2S)-3-methyl-1-(4-phenoxybutanoyl)-2-phenylimidazolidin-4-one

(2S)-3-methyl-1-(4-phenoxybutanoyl)-2-phenylimidazolidin-4-one (PubChem CID 99791305) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is (2S)-3-methyl-1-(4-phenoxybutanoyl)-2-phenylimidazolidin-4-one.

Molecular Properties

Compound Name(2S)-3-methyl-1-(4-phenoxybutanoyl)-2-phenylimidazolidin-4-one
PubChem CID99791305
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name(2S)-3-methyl-1-(4-phenoxybutanoyl)-2-phenylimidazolidin-4-one
SMILESCN1C(=O)CN(C(=O)CCCOc2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C20H22N2O3/c1-21-19(24)15-22(20(21)16-9-4-2-5-10-16)18(23)13-8-14-25-17-11-6-3-7-12-17/h2-7,9-12,20H,8,13-15H2,1H3/t20-/m0/s1
InChIKeyBAWYLRWITVZNOB-FQEVSTJZSA-N
XLogP2.85
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S)-3-methyl-1-(4-phenoxybutanoyl)-2-phenylimidazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-4-phenoxybutan-1-one
CID 27473703
4-phenoxy-1-(5-phenyl-1,3-oxazolidin-3-yl)butan-1-one
CID 110746632
2-(4-hydroxyphenyl)-3-methyl-1-propanoylimidazolidin-4-one
CID 142012639
4-phenoxy-1-[4-(3-phenoxypropanoyl)piperazin-1-yl]butan-1-one
CID 108536243
(2S)-1-benzoyl-3-methyl-2-phenyl-1,3-diazinan-4-one
CID 101008763
1-(2-ethylpiperidin-1-yl)-4-phenoxybutan-1-one
CID 2914939
1-(4-benzyl-3-methylpiperazin-1-yl)-4-phenoxybutan-1-one
CID 110657807
1-[2-(1-aminoethyl)piperidin-1-yl]-4-phenoxybutan-1-one
CID 119434457
1-[2-(4-ethylphenyl)morpholin-4-yl]-4-phenoxybutan-1-one
CID 110364018
1-[(1R,5R)-3-methylsulfonyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]-4-phenoxybutan-1-one
CID 72849609
1-[3-(3-methoxyphenoxy)azetidin-1-yl]-4-phenoxybutan-1-one
CID 70781209
1-[(3R,4R)-3-[(dimethylamino)methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-4-phenoxybutan-1-one
CID 72863375

Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-1-(4-phenoxybutanoyl)-2-phenylimidazolidin-4-one?
The IUPAC name of (2S)-3-methyl-1-(4-phenoxybutanoyl)-2-phenylimidazolidin-4-one (CID 99791305) is (2S)-3-methyl-1-(4-phenoxybutanoyl)-2-phenylimidazolidin-4-one.
What is the SMILES notation for (2S)-3-methyl-1-(4-phenoxybutanoyl)-2-phenylimidazolidin-4-one?
The canonical SMILES for (2S)-3-methyl-1-(4-phenoxybutanoyl)-2-phenylimidazolidin-4-one is CN1C(=O)CN(C(=O)CCCOc2ccccc2)[C@H]1c1ccccc1.
What is the InChIKey of (2S)-3-methyl-1-(4-phenoxybutanoyl)-2-phenylimidazolidin-4-one?
The InChIKey is BAWYLRWITVZNOB-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-21-19(24)15-22(20(21)16-9-4-2-5-10-16)18(23)13-8-14-25-17-11-6-3-7-12-17/h2-7,9-12,20H,8,13-15H2,1H3/t20-/m0/s1.
What are the key properties of (2S)-3-methyl-1-(4-phenoxybutanoyl)-2-phenylimidazolidin-4-one?
(2S)-3-methyl-1-(4-phenoxybutanoyl)-2-phenylimidazolidin-4-one has a molecular weight of 338.41 g/mol, XLogP of 2.85, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-1-(4-phenoxybutanoyl)-2-phenylimidazolidin-4-one is sourced from PubChem (CID 99791305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).