1-[2-[2-methoxy-4-(oxidoamino)phenoxy]ethyl]imidazolidin-2-one

C12H16N3O4- — CID 146830978

IUPAC1-[2-[2-methoxy-4-(oxidoamino)phenoxy]ethyl]imidazolidin-2-one
SMILESCOc1cc(N[O-])ccc1OCCN1CCNC1=O
InChIInChI=1S/C12H16N3O4/c1-18-11-8-9(14-17)2-3-10(11)19-7-6-15-5-4-13-12(15)16/h2-3,8,14H,4-7H2,1H3,(H,13,16)/q-1
InChIKeyCCUTYJRFWSROJT-UHFFFAOYSA-N
MW266.28 g/mol
LogP1.01
Rot. Bonds6

About 1-[2-[2-methoxy-4-(oxidoamino)phenoxy]ethyl]imidazolidin-2-one

1-[2-[2-methoxy-4-(oxidoamino)phenoxy]ethyl]imidazolidin-2-one (PubChem CID 146830978) has the molecular formula C12H16N3O4- and a molecular weight of 266.28 g/mol. Its IUPAC name is 1-[2-[2-methoxy-4-(oxidoamino)phenoxy]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[2-methoxy-4-(oxidoamino)phenoxy]ethyl]imidazolidin-2-one
PubChem CID146830978
Molecular FormulaC12H16N3O4-
Molecular Weight266.28 g/mol
Exact Mass266.11
IUPAC Name1-[2-[2-methoxy-4-(oxidoamino)phenoxy]ethyl]imidazolidin-2-one
SMILESCOc1cc(N[O-])ccc1OCCN1CCNC1=O
InChIInChI=1S/C12H16N3O4/c1-18-11-8-9(14-17)2-3-10(11)19-7-6-15-5-4-13-12(15)16/h2-3,8,14H,4-7H2,1H3,(H,13,16)/q-1
InChIKeyCCUTYJRFWSROJT-UHFFFAOYSA-N
XLogP1.01
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.28
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[2-methoxy-4-(methylaminomethyl)phenoxy]ethyl]imidazolidin-2-one
CID 43278574
1-[2-(1-methoxynaphthalen-2-yl)oxyethyl]imidazolidin-2-one
CID 137399955
1-[2-(3-fluoro-4-methoxyanilino)ethyl]imidazolidin-2-one
CID 43380794
3-nitro-4-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzaldehyde
CID 43319743
3-ethoxy-4-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzonitrile
CID 61388215
1-[2-[2-ethoxy-4-(hydroxymethyl)phenoxy]ethyl]imidazolidin-2-one
CID 28561686
1-[2-[2-(ethylaminomethyl)-4-fluorophenoxy]ethyl]imidazolidin-2-one
CID 107695464
1-[2-[2-(hydroxymethyl)-4-methylphenoxy]ethyl]imidazolidin-2-one
CID 63325459
1-[2-(2-fluoro-5-methylphenoxy)ethyl]imidazolidin-2-one
CID 64854131
1-[2-[5-(methylaminomethyl)-2-nitrophenoxy]ethyl]imidazolidin-2-one
CID 62115331
1-[2-(3-hydroxy-2-methylphenoxy)ethyl]imidazolidin-2-one
CID 43143307
1-[2-[4-chloro-2-[(propan-2-ylamino)methyl]phenoxy]ethyl]imidazolidin-2-one
CID 43278045

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-methoxy-4-(oxidoamino)phenoxy]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[2-methoxy-4-(oxidoamino)phenoxy]ethyl]imidazolidin-2-one (CID 146830978) is 1-[2-[2-methoxy-4-(oxidoamino)phenoxy]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[2-methoxy-4-(oxidoamino)phenoxy]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[2-methoxy-4-(oxidoamino)phenoxy]ethyl]imidazolidin-2-one is COc1cc(N[O-])ccc1OCCN1CCNC1=O.
What is the InChIKey of 1-[2-[2-methoxy-4-(oxidoamino)phenoxy]ethyl]imidazolidin-2-one?
The InChIKey is CCUTYJRFWSROJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N3O4/c1-18-11-8-9(14-17)2-3-10(11)19-7-6-15-5-4-13-12(15)16/h2-3,8,14H,4-7H2,1H3,(H,13,16)/q-1.
What are the key properties of 1-[2-[2-methoxy-4-(oxidoamino)phenoxy]ethyl]imidazolidin-2-one?
1-[2-[2-methoxy-4-(oxidoamino)phenoxy]ethyl]imidazolidin-2-one has a molecular weight of 266.28 g/mol, XLogP of 1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-methoxy-4-(oxidoamino)phenoxy]ethyl]imidazolidin-2-one is sourced from PubChem (CID 146830978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).