3-[2-[2-(3-methoxyphenoxy)ethyl-methylamino]ethyl]-1H-imidazol-2-one

C15H21N3O3 — CID 91838139

IUPAC3-[2-[2-(3-methoxyphenoxy)ethyl-methylamino]ethyl]-1H-imidazol-2-one
SMILESCOc1cccc(OCCN(C)CCn2cc[nH]c2=O)c1
InChIInChI=1S/C15H21N3O3/c1-17(8-9-18-7-6-16-15(18)19)10-11-21-14-5-3-4-13(12-14)20-2/h3-7,12H,8-11H2,1-2H3,(H,16,19)
InChIKeyYYRMXALVWYKHDU-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.20
Rot. Bonds8

About 3-[2-[2-(3-methoxyphenoxy)ethyl-methylamino]ethyl]-1H-imidazol-2-one

3-[2-[2-(3-methoxyphenoxy)ethyl-methylamino]ethyl]-1H-imidazol-2-one (PubChem CID 91838139) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 3-[2-[2-(3-methoxyphenoxy)ethyl-methylamino]ethyl]-1H-imidazol-2-one.

Molecular Properties

Compound Name3-[2-[2-(3-methoxyphenoxy)ethyl-methylamino]ethyl]-1H-imidazol-2-one
PubChem CID91838139
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name3-[2-[2-(3-methoxyphenoxy)ethyl-methylamino]ethyl]-1H-imidazol-2-one
SMILESCOc1cccc(OCCN(C)CCn2cc[nH]c2=O)c1
InChIInChI=1S/C15H21N3O3/c1-17(8-9-18-7-6-16-15(18)19)10-11-21-14-5-3-4-13(12-14)20-2/h3-7,12H,8-11H2,1-2H3,(H,16,19)
InChIKeyYYRMXALVWYKHDU-UHFFFAOYSA-N
XLogP1.20
TPSA59.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 110837124
N-ethyl-N-[2-(3-methoxyphenoxy)ethyl]-4-(2-methyltetrazol-5-yl)benzamide
CID 50958972
3-[2-(2-methylphenyl)ethyl]-1H-imidazol-2-one
CID 103125787
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CID 90319094

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(3-methoxyphenoxy)ethyl-methylamino]ethyl]-1H-imidazol-2-one?
The IUPAC name of 3-[2-[2-(3-methoxyphenoxy)ethyl-methylamino]ethyl]-1H-imidazol-2-one (CID 91838139) is 3-[2-[2-(3-methoxyphenoxy)ethyl-methylamino]ethyl]-1H-imidazol-2-one.
What is the SMILES notation for 3-[2-[2-(3-methoxyphenoxy)ethyl-methylamino]ethyl]-1H-imidazol-2-one?
The canonical SMILES for 3-[2-[2-(3-methoxyphenoxy)ethyl-methylamino]ethyl]-1H-imidazol-2-one is COc1cccc(OCCN(C)CCn2cc[nH]c2=O)c1.
What is the InChIKey of 3-[2-[2-(3-methoxyphenoxy)ethyl-methylamino]ethyl]-1H-imidazol-2-one?
The InChIKey is YYRMXALVWYKHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-17(8-9-18-7-6-16-15(18)19)10-11-21-14-5-3-4-13(12-14)20-2/h3-7,12H,8-11H2,1-2H3,(H,16,19).
What are the key properties of 3-[2-[2-(3-methoxyphenoxy)ethyl-methylamino]ethyl]-1H-imidazol-2-one?
3-[2-[2-(3-methoxyphenoxy)ethyl-methylamino]ethyl]-1H-imidazol-2-one has a molecular weight of 291.35 g/mol, XLogP of 1.20, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(3-methoxyphenoxy)ethyl-methylamino]ethyl]-1H-imidazol-2-one is sourced from PubChem (CID 91838139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).