2-(2,6-dimethylphenoxy)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]acetamide

C20H21N3O4 — CID 55617163

IUPAC2-(2,6-dimethylphenoxy)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]acetamide
SMILESCc1cccc(C)c1OCC(=O)Nc1cccc(CN2C(=O)CNC2=O)c1
InChIInChI=1S/C20H21N3O4/c1-13-5-3-6-14(2)19(13)27-12-17(24)22-16-8-4-7-15(9-16)11-23-18(25)10-21-20(23)26/h3-9H,10-12H2,1-2H3,(H,21,26)(H,22,24)
InChIKeyQRFZYXOEHVSSSC-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.37
Rot. Bonds6

About 2-(2,6-dimethylphenoxy)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]acetamide

2-(2,6-dimethylphenoxy)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]acetamide (PubChem CID 55617163) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is 2-(2,6-dimethylphenoxy)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(2,6-dimethylphenoxy)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]acetamide
PubChem CID55617163
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Name2-(2,6-dimethylphenoxy)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]acetamide
SMILESCc1cccc(C)c1OCC(=O)Nc1cccc(CN2C(=O)CNC2=O)c1
InChIInChI=1S/C20H21N3O4/c1-13-5-3-6-14(2)19(13)27-12-17(24)22-16-8-4-7-15(9-16)11-23-18(25)10-21-20(23)26/h3-9H,10-12H2,1-2H3,(H,21,26)(H,22,24)
InChIKeyQRFZYXOEHVSSSC-UHFFFAOYSA-N
XLogP2.37
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-2-(2-ethylphenoxy)acetamide
CID 55617362
2-[(2-chlorophenyl)methoxy]-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]acetamide
CID 47054953
[2-(3-methoxyanilino)-2-oxoethyl] 3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
CID 33067811
2-amino-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]propanamide
CID 119288680
N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-2-(4-methylphenoxy)propanamide
CID 55617134
2-(3-bromo-2-methylindol-1-yl)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]acetamide
CID 52661750
N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-3-(4-propan-2-ylphenyl)propanamide
CID 55853093
3,3-dicyclopropyl-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]prop-2-enamide
CID 71889492
(2S)-2-amino-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-3-methylbutanamide;hydrochloride
CID 119288695
2-[(4-chlorophenyl)methylsulfanyl]-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]acetamide
CID 55617218
[2-(4-methoxyanilino)-2-oxoethyl] 3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
CID 33067922
2-amino-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-2-methylpentanamide;hydrochloride
CID 119722221

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenoxy)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]acetamide?
The IUPAC name of 2-(2,6-dimethylphenoxy)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]acetamide (CID 55617163) is 2-(2,6-dimethylphenoxy)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]acetamide.
What is the SMILES notation for 2-(2,6-dimethylphenoxy)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]acetamide?
The canonical SMILES for 2-(2,6-dimethylphenoxy)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]acetamide is Cc1cccc(C)c1OCC(=O)Nc1cccc(CN2C(=O)CNC2=O)c1.
What is the InChIKey of 2-(2,6-dimethylphenoxy)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]acetamide?
The InChIKey is QRFZYXOEHVSSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-13-5-3-6-14(2)19(13)27-12-17(24)22-16-8-4-7-15(9-16)11-23-18(25)10-21-20(23)26/h3-9H,10-12H2,1-2H3,(H,21,26)(H,22,24).
What are the key properties of 2-(2,6-dimethylphenoxy)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]acetamide?
2-(2,6-dimethylphenoxy)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]acetamide has a molecular weight of 367.41 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenoxy)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]acetamide is sourced from PubChem (CID 55617163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).