[2-[3-(2-ethylphenoxy)azetidin-1-yl]-2-oxoethyl]urea

C14H19N3O3 — CID 72866935

IUPAC[2-[3-(2-ethylphenoxy)azetidin-1-yl]-2-oxoethyl]urea
SMILESCCc1ccccc1OC1CN(C(=O)CNC(N)=O)C1
InChIInChI=1S/C14H19N3O3/c1-2-10-5-3-4-6-12(10)20-11-8-17(9-11)13(18)7-16-14(15)19/h3-6,11H,2,7-9H2,1H3,(H3,15,16,19)
InChIKeyYCNYEPAKONDAKI-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.51
Rot. Bonds5

About [2-[3-(2-ethylphenoxy)azetidin-1-yl]-2-oxoethyl]urea

[2-[3-(2-ethylphenoxy)azetidin-1-yl]-2-oxoethyl]urea (PubChem CID 72866935) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is [2-[3-(2-ethylphenoxy)azetidin-1-yl]-2-oxoethyl]urea.

Molecular Properties

Compound Name[2-[3-(2-ethylphenoxy)azetidin-1-yl]-2-oxoethyl]urea
PubChem CID72866935
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name[2-[3-(2-ethylphenoxy)azetidin-1-yl]-2-oxoethyl]urea
SMILESCCc1ccccc1OC1CN(C(=O)CNC(N)=O)C1
InChIInChI=1S/C14H19N3O3/c1-2-10-5-3-4-6-12(10)20-11-8-17(9-11)13(18)7-16-14(15)19/h3-6,11H,2,7-9H2,1H3,(H3,15,16,19)
InChIKeyYCNYEPAKONDAKI-UHFFFAOYSA-N
XLogP0.51
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[3-(2-ethylphenoxy)azetidin-1-yl]-2-methylsulfanylpropan-1-one
CID 97126152
1-[3-(2-ethylphenoxy)azetidin-1-yl]-2-pyrazol-1-ylbutan-1-one
CID 70723771
[3-(2-ethylphenoxy)azetidin-1-yl]-(1H-indol-5-yl)methanone
CID 70779616
[3-(2-ethylphenoxy)azetidin-1-yl]-(5-fluoro-2-methoxyphenyl)methanone
CID 70717345
[3-(dimethylamino)phenyl]-[3-(2-ethylphenoxy)azetidin-1-yl]methanone
CID 70710333
(1-ethyl-5-methylpyrazol-3-yl)-[3-(2-ethylphenoxy)azetidin-1-yl]methanone
CID 70719596
(3S)-3-[3-(2-ethylphenoxy)azetidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 97277699
3-(2-ethylphenoxy)cyclobutan-1-ol
CID 66366906
3-(2-ethylphenoxy)-N-[(2S)-1-imidazol-1-ylbutan-2-yl]azetidine-1-carboxamide
CID 126436612
N-(3-acetamido-4-methoxyphenyl)-3-(2-ethylphenoxy)azetidine-1-carboxamide
CID 74231302
(3-cyclopropyl-5-methylpyrazolidin-4-yl)-[3-(2-ethylphenoxy)azetidin-1-yl]methanone
CID 134081054
[3-(2-ethylphenoxy)azetidin-1-yl]-[4-[2-hydroxyethyl(methyl)amino]phenyl]methanone
CID 72899316

Frequently Asked Questions

What is the IUPAC name of [2-[3-(2-ethylphenoxy)azetidin-1-yl]-2-oxoethyl]urea?
The IUPAC name of [2-[3-(2-ethylphenoxy)azetidin-1-yl]-2-oxoethyl]urea (CID 72866935) is [2-[3-(2-ethylphenoxy)azetidin-1-yl]-2-oxoethyl]urea.
What is the SMILES notation for [2-[3-(2-ethylphenoxy)azetidin-1-yl]-2-oxoethyl]urea?
The canonical SMILES for [2-[3-(2-ethylphenoxy)azetidin-1-yl]-2-oxoethyl]urea is CCc1ccccc1OC1CN(C(=O)CNC(N)=O)C1.
What is the InChIKey of [2-[3-(2-ethylphenoxy)azetidin-1-yl]-2-oxoethyl]urea?
The InChIKey is YCNYEPAKONDAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-2-10-5-3-4-6-12(10)20-11-8-17(9-11)13(18)7-16-14(15)19/h3-6,11H,2,7-9H2,1H3,(H3,15,16,19).
What are the key properties of [2-[3-(2-ethylphenoxy)azetidin-1-yl]-2-oxoethyl]urea?
[2-[3-(2-ethylphenoxy)azetidin-1-yl]-2-oxoethyl]urea has a molecular weight of 277.32 g/mol, XLogP of 0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(2-ethylphenoxy)azetidin-1-yl]-2-oxoethyl]urea is sourced from PubChem (CID 72866935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).