1-[2-[3-[hydroxy(methyl)amino]-2,4,6-trimethylphenoxy]ethyl]imidazolidin-2-one

C15H23N3O3 — CID 123156882

IUPAC1-[2-[3-[hydroxy(methyl)amino]-2,4,6-trimethylphenoxy]ethyl]imidazolidin-2-one
SMILESCc1cc(C)c(N(C)O)c(C)c1OCCN1CCNC1=O
InChIInChI=1S/C15H23N3O3/c1-10-9-11(2)14(12(3)13(10)17(4)20)21-8-7-18-6-5-16-15(18)19/h9,20H,5-8H2,1-4H3,(H,16,19)
InChIKeyZWRXPTOPVCKPPG-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.84
Rot. Bonds5

About 1-[2-[3-[hydroxy(methyl)amino]-2,4,6-trimethylphenoxy]ethyl]imidazolidin-2-one

1-[2-[3-[hydroxy(methyl)amino]-2,4,6-trimethylphenoxy]ethyl]imidazolidin-2-one (PubChem CID 123156882) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-[2-[3-[hydroxy(methyl)amino]-2,4,6-trimethylphenoxy]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[3-[hydroxy(methyl)amino]-2,4,6-trimethylphenoxy]ethyl]imidazolidin-2-one
PubChem CID123156882
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name1-[2-[3-[hydroxy(methyl)amino]-2,4,6-trimethylphenoxy]ethyl]imidazolidin-2-one
SMILESCc1cc(C)c(N(C)O)c(C)c1OCCN1CCNC1=O
InChIInChI=1S/C15H23N3O3/c1-10-9-11(2)14(12(3)13(10)17(4)20)21-8-7-18-6-5-16-15(18)19/h9,20H,5-8H2,1-4H3,(H,16,19)
InChIKeyZWRXPTOPVCKPPG-UHFFFAOYSA-N
XLogP1.84
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[2-(3-ethynyl-2,4,6-trimethylphenoxy)ethyl]imidazolidin-2-one
CID 149395147
3,5-dimethyl-4-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzoic acid
CID 28932856
1-[2-[4-(aminomethyl)-2,6-dimethylphenoxy]ethyl]imidazolidin-2-one
CID 28967044
1-[2-[4-bromo-2-(hydroxymethyl)-6-methylphenoxy]ethyl]imidazolidin-2-one
CID 112621106
5-bromo-3-methyl-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzoic acid
CID 115961943
1-[2-(3-hydroxy-2-methylphenoxy)ethyl]imidazolidin-2-one
CID 43143307
1-[2-(4-bromo-3-methylphenoxy)ethyl]imidazolidin-2-one
CID 83133891
1,3-bis[2-methyl-4-[2-(2-oxoimidazolidin-1-yl)ethoxy]phenyl]urea
CID 167826131
1-[2-[2-(hydroxymethyl)-4-methylphenoxy]ethyl]imidazolidin-2-one
CID 63325459
1-[2-(4-amino-2-fluoro-5-methylphenoxy)ethyl]imidazolidin-2-one
CID 114415672
1-[2-(2-fluoro-5-methylphenoxy)ethyl]imidazolidin-2-one
CID 64854131
3-amino-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzoic acid
CID 107077632

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-[hydroxy(methyl)amino]-2,4,6-trimethylphenoxy]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[3-[hydroxy(methyl)amino]-2,4,6-trimethylphenoxy]ethyl]imidazolidin-2-one (CID 123156882) is 1-[2-[3-[hydroxy(methyl)amino]-2,4,6-trimethylphenoxy]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[3-[hydroxy(methyl)amino]-2,4,6-trimethylphenoxy]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[3-[hydroxy(methyl)amino]-2,4,6-trimethylphenoxy]ethyl]imidazolidin-2-one is Cc1cc(C)c(N(C)O)c(C)c1OCCN1CCNC1=O.
What is the InChIKey of 1-[2-[3-[hydroxy(methyl)amino]-2,4,6-trimethylphenoxy]ethyl]imidazolidin-2-one?
The InChIKey is ZWRXPTOPVCKPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-10-9-11(2)14(12(3)13(10)17(4)20)21-8-7-18-6-5-16-15(18)19/h9,20H,5-8H2,1-4H3,(H,16,19).
What are the key properties of 1-[2-[3-[hydroxy(methyl)amino]-2,4,6-trimethylphenoxy]ethyl]imidazolidin-2-one?
1-[2-[3-[hydroxy(methyl)amino]-2,4,6-trimethylphenoxy]ethyl]imidazolidin-2-one has a molecular weight of 293.37 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-[hydroxy(methyl)amino]-2,4,6-trimethylphenoxy]ethyl]imidazolidin-2-one is sourced from PubChem (CID 123156882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).