3-[[2-(difluoromethoxy)phenyl]methyl]-1-ethyl-1-[[(2R)-oxolan-2-yl]methyl]urea

C16H22F2N2O3 — CID 95598545

IUPAC3-[[2-(difluoromethoxy)phenyl]methyl]-1-ethyl-1-[[(2R)-oxolan-2-yl]methyl]urea
SMILESCCN(C[C@H]1CCCO1)C(=O)NCc1ccccc1OC(F)F
InChIInChI=1S/C16H22F2N2O3/c1-2-20(11-13-7-5-9-22-13)16(21)19-10-12-6-3-4-8-14(12)23-15(17)18/h3-4,6,8,13,15H,2,5,7,9-11H2,1H3,(H,19,21)/t13-/m1/s1
InChIKeyOMBDLCYECAIGBJ-CYBMUJFWSA-N
MW328.36 g/mol
LogP3.00
Rot. Bonds7

About 3-[[2-(difluoromethoxy)phenyl]methyl]-1-ethyl-1-[[(2R)-oxolan-2-yl]methyl]urea

3-[[2-(difluoromethoxy)phenyl]methyl]-1-ethyl-1-[[(2R)-oxolan-2-yl]methyl]urea (PubChem CID 95598545) has the molecular formula C16H22F2N2O3 and a molecular weight of 328.36 g/mol. Its IUPAC name is 3-[[2-(difluoromethoxy)phenyl]methyl]-1-ethyl-1-[[(2R)-oxolan-2-yl]methyl]urea.

Molecular Properties

Compound Name3-[[2-(difluoromethoxy)phenyl]methyl]-1-ethyl-1-[[(2R)-oxolan-2-yl]methyl]urea
PubChem CID95598545
Molecular FormulaC16H22F2N2O3
Molecular Weight328.36 g/mol
Exact Mass328.16
IUPAC Name3-[[2-(difluoromethoxy)phenyl]methyl]-1-ethyl-1-[[(2R)-oxolan-2-yl]methyl]urea
SMILESCCN(C[C@H]1CCCO1)C(=O)NCc1ccccc1OC(F)F
InChIInChI=1S/C16H22F2N2O3/c1-2-20(11-13-7-5-9-22-13)16(21)19-10-12-6-3-4-8-14(12)23-15(17)18/h3-4,6,8,13,15H,2,5,7,9-11H2,1H3,(H,19,21)/t13-/m1/s1
InChIKeyOMBDLCYECAIGBJ-CYBMUJFWSA-N
XLogP3.00
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[[2-(difluoromethoxy)phenyl]methyl]-1-ethyl-1-[[(2R)-oxolan-2-yl]methyl]urea with MolForge

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Related Compounds

3-[[2-(difluoromethoxy)phenyl]methyl]-1-(oxolan-2-ylmethyl)-1-(thiophen-2-ylmethyl)urea
CID 87003192
1-ethyl-1-[[(2S)-oxolan-2-yl]methyl]-3-[(2-pyrrolidin-1-ylphenyl)methyl]urea
CID 95762745
1-ethyl-1-[[(2S)-oxolan-2-yl]methyl]-3-(quinolin-8-ylmethyl)urea
CID 97099557
1-ethyl-1-[[(2S)-oxolan-2-yl]methyl]-3-[(2-piperidin-1-yl-3-pyridinyl)methyl]urea
CID 95762761
3-[(2-cyclopentyloxyphenyl)methyl]-1-(oxolan-2-ylmethyl)-1-(thiophen-2-ylmethyl)urea
CID 55929307
N-[2-[[ethyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]amino]ethyl]-2-fluorobenzamide
CID 95762744
1-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine
CID 111407981
1-ethyl-3-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 126429384
3-[(2-methoxy-3-pyridinyl)methyl]-1,1-bis[[(2S)-oxolan-2-yl]methyl]urea
CID 94077984
(2S)-2-cyano-3-[2-(difluoromethoxy)phenyl]-3-oxo-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 98449581
1-ethyl-3-[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 95968273
3-cyclopentyl-N-[[2-(difluoromethoxy)phenyl]methyl]propanamide
CID 86915882

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(difluoromethoxy)phenyl]methyl]-1-ethyl-1-[[(2R)-oxolan-2-yl]methyl]urea?
The IUPAC name of 3-[[2-(difluoromethoxy)phenyl]methyl]-1-ethyl-1-[[(2R)-oxolan-2-yl]methyl]urea (CID 95598545) is 3-[[2-(difluoromethoxy)phenyl]methyl]-1-ethyl-1-[[(2R)-oxolan-2-yl]methyl]urea.
What is the SMILES notation for 3-[[2-(difluoromethoxy)phenyl]methyl]-1-ethyl-1-[[(2R)-oxolan-2-yl]methyl]urea?
The canonical SMILES for 3-[[2-(difluoromethoxy)phenyl]methyl]-1-ethyl-1-[[(2R)-oxolan-2-yl]methyl]urea is CCN(C[C@H]1CCCO1)C(=O)NCc1ccccc1OC(F)F.
What is the InChIKey of 3-[[2-(difluoromethoxy)phenyl]methyl]-1-ethyl-1-[[(2R)-oxolan-2-yl]methyl]urea?
The InChIKey is OMBDLCYECAIGBJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H22F2N2O3/c1-2-20(11-13-7-5-9-22-13)16(21)19-10-12-6-3-4-8-14(12)23-15(17)18/h3-4,6,8,13,15H,2,5,7,9-11H2,1H3,(H,19,21)/t13-/m1/s1.
What are the key properties of 3-[[2-(difluoromethoxy)phenyl]methyl]-1-ethyl-1-[[(2R)-oxolan-2-yl]methyl]urea?
3-[[2-(difluoromethoxy)phenyl]methyl]-1-ethyl-1-[[(2R)-oxolan-2-yl]methyl]urea has a molecular weight of 328.36 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(difluoromethoxy)phenyl]methyl]-1-ethyl-1-[[(2R)-oxolan-2-yl]methyl]urea is sourced from PubChem (CID 95598545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).