1-[2-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-methylphenoxy]ethyl]imidazolidin-2-one

C14H19N3O3 — CID 43504906

IUPAC1-[2-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-methylphenoxy]ethyl]imidazolidin-2-one
SMILESC/C(=N\O)c1cc(C)ccc1OCCN1CCNC1=O
InChIInChI=1S/C14H19N3O3/c1-10-3-4-13(12(9-10)11(2)16-19)20-8-7-17-6-5-15-14(17)18/h3-4,9,19H,5-8H2,1-2H3,(H,15,18)/b16-11+
InChIKeyLIZPOGVXMSAFKK-LFIBNONCSA-N
MW277.32 g/mol
LogP1.60
Rot. Bonds5

About 1-[2-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-methylphenoxy]ethyl]imidazolidin-2-one

1-[2-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-methylphenoxy]ethyl]imidazolidin-2-one (PubChem CID 43504906) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 1-[2-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-methylphenoxy]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-methylphenoxy]ethyl]imidazolidin-2-one
PubChem CID43504906
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name1-[2-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-methylphenoxy]ethyl]imidazolidin-2-one
SMILESC/C(=N\O)c1cc(C)ccc1OCCN1CCNC1=O
InChIInChI=1S/C14H19N3O3/c1-10-3-4-13(12(9-10)11(2)16-19)20-8-7-17-6-5-15-14(17)18/h3-4,9,19H,5-8H2,1-2H3,(H,15,18)/b16-11+
InChIKeyLIZPOGVXMSAFKK-LFIBNONCSA-N
XLogP1.60
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[2-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-methylphenoxy]ethyl]imidazolidin-2-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-[2-[2-(hydroxymethyl)-4-methylphenoxy]ethyl]imidazolidin-2-one
CID 63325459
1-[2-(2-fluoro-5-methylphenoxy)ethyl]imidazolidin-2-one
CID 64854131
3-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-methylphenoxy]propan-1-ol
CID 98511673
ethyl 5-amino-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzoate
CID 106955971
(NE)-N-[1-(2-hexadecoxy-5-methylphenyl)ethylidene]hydroxylamine
CID 98298024
1-[2-(2-acetyl-5-fluorophenoxy)ethyl]imidazolidin-2-one
CID 55146500
1-[2-(3-hydroxy-2-methylphenoxy)ethyl]imidazolidin-2-one
CID 43143307
3-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-methylphenoxy]-N,N-dimethylpropanamide
CID 54878942
N-[1-[2-(3-ethylsulfonylpropoxy)-5-methylphenyl]ethylidene]hydroxylamine
CID 77055461
(NE)-N-[1-[5-methyl-2-(4-methylpentoxy)phenyl]ethylidene]hydroxylamine
CID 83157735
(NE)-N-[1-[5-methyl-2-(2-propan-2-ylsulfonylethoxy)phenyl]ethylidene]hydroxylamine
CID 106725527
1-[2-[2-ethoxy-4-(hydroxymethyl)phenoxy]ethyl]imidazolidin-2-one
CID 28561686

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-methylphenoxy]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-methylphenoxy]ethyl]imidazolidin-2-one (CID 43504906) is 1-[2-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-methylphenoxy]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-methylphenoxy]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-methylphenoxy]ethyl]imidazolidin-2-one is C/C(=N\O)c1cc(C)ccc1OCCN1CCNC1=O.
What is the InChIKey of 1-[2-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-methylphenoxy]ethyl]imidazolidin-2-one?
The InChIKey is LIZPOGVXMSAFKK-LFIBNONCSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-10-3-4-13(12(9-10)11(2)16-19)20-8-7-17-6-5-15-14(17)18/h3-4,9,19H,5-8H2,1-2H3,(H,15,18)/b16-11+.
What are the key properties of 1-[2-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-methylphenoxy]ethyl]imidazolidin-2-one?
1-[2-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-methylphenoxy]ethyl]imidazolidin-2-one has a molecular weight of 277.32 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-methylphenoxy]ethyl]imidazolidin-2-one is sourced from PubChem (CID 43504906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).