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

C13H19N3O2 — CID 62873354

IUPAC1-[2-(4-methoxy-2-methylanilino)ethyl]imidazolidin-2-one
SMILESCOc1ccc(NCCN2CCNC2=O)c(C)c1
InChIInChI=1S/C13H19N3O2/c1-10-9-11(18-2)3-4-12(10)14-5-7-16-8-6-15-13(16)17/h3-4,9,14H,5-8H2,1-2H3,(H,15,17)
InChIKeyARCFJOTZSAZLHR-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.44
Rot. Bonds5

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

1-[2-(4-methoxy-2-methylanilino)ethyl]imidazolidin-2-one (PubChem CID 62873354) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-[2-(4-methoxy-2-methylanilino)ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-(4-methoxy-2-methylanilino)ethyl]imidazolidin-2-one
PubChem CID62873354
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name1-[2-(4-methoxy-2-methylanilino)ethyl]imidazolidin-2-one
SMILESCOc1ccc(NCCN2CCNC2=O)c(C)c1
InChIInChI=1S/C13H19N3O2/c1-10-9-11(18-2)3-4-12(10)14-5-7-16-8-6-15-13(16)17/h3-4,9,14H,5-8H2,1-2H3,(H,15,17)
InChIKeyARCFJOTZSAZLHR-UHFFFAOYSA-N
XLogP1.44
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-[2-(4-bromo-2-methylanilino)ethyl]imidazolidin-2-one
CID 28572437
3-[2-(5-methoxy-2-methylanilino)ethyl]-1,3-oxazolidin-2-one
CID 21071128
1-[2-[(2,4-dimethoxyphenyl)methylamino]ethyl]imidazolidin-2-one
CID 63363032
1,3-bis[2-methyl-4-[2-(2-oxoimidazolidin-1-yl)ethoxy]phenyl]urea
CID 167826131
3-[2-(5-methoxy-2-methylanilino)ethyl]-1,3-oxazolidin-2-one;1-(5-methoxy-2-methylphenyl)piperazine
CID 158726107
1-[2-(3-fluoro-4-methoxyanilino)ethyl]imidazolidin-2-one
CID 43380794
4-methoxy-2-methyl-N-(2-methylsulfonylethyl)aniline
CID 62872422
1-[2-(2-bromo-4-chloroanilino)ethyl]imidazolidin-2-one
CID 81271578
1-[2-(2,5-difluoroanilino)ethyl]imidazolidin-2-one
CID 28574585
4-methoxy-2-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
CID 114527611
1-[2-[4-(trifluoromethoxy)anilino]ethyl]imidazolidin-2-one
CID 28576905
3-chloro-4-[2-(2-oxoimidazolidin-1-yl)ethylamino]benzonitrile
CID 107807856

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxy-2-methylanilino)ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-(4-methoxy-2-methylanilino)ethyl]imidazolidin-2-one (CID 62873354) is 1-[2-(4-methoxy-2-methylanilino)ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-(4-methoxy-2-methylanilino)ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-(4-methoxy-2-methylanilino)ethyl]imidazolidin-2-one is COc1ccc(NCCN2CCNC2=O)c(C)c1.
What is the InChIKey of 1-[2-(4-methoxy-2-methylanilino)ethyl]imidazolidin-2-one?
The InChIKey is ARCFJOTZSAZLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-10-9-11(18-2)3-4-12(10)14-5-7-16-8-6-15-13(16)17/h3-4,9,14H,5-8H2,1-2H3,(H,15,17).
What are the key properties of 1-[2-(4-methoxy-2-methylanilino)ethyl]imidazolidin-2-one?
1-[2-(4-methoxy-2-methylanilino)ethyl]imidazolidin-2-one has a molecular weight of 249.31 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxy-2-methylanilino)ethyl]imidazolidin-2-one is sourced from PubChem (CID 62873354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).