3-[2-(difluoromethoxy)-6-methylphenyl]-1-ethyl-1-(2-hydroxy-2-methylpropyl)urea

C15H22F2N2O3 — CID 111790691

IUPAC3-[2-(difluoromethoxy)-6-methylphenyl]-1-ethyl-1-(2-hydroxy-2-methylpropyl)urea
SMILESCCN(CC(C)(C)O)C(=O)Nc1c(C)cccc1OC(F)F
InChIInChI=1S/C15H22F2N2O3/c1-5-19(9-15(3,4)21)14(20)18-12-10(2)7-6-8-11(12)22-13(16)17/h6-8,13,21H,5,9H2,1-4H3,(H,18,20)
InChIKeyOXVPSDVSTRCKFJ-UHFFFAOYSA-N
MW316.35 g/mol
LogP3.22
Rot. Bonds6

About 3-[2-(difluoromethoxy)-6-methylphenyl]-1-ethyl-1-(2-hydroxy-2-methylpropyl)urea

3-[2-(difluoromethoxy)-6-methylphenyl]-1-ethyl-1-(2-hydroxy-2-methylpropyl)urea (PubChem CID 111790691) has the molecular formula C15H22F2N2O3 and a molecular weight of 316.35 g/mol. Its IUPAC name is 3-[2-(difluoromethoxy)-6-methylphenyl]-1-ethyl-1-(2-hydroxy-2-methylpropyl)urea.

Molecular Properties

Compound Name3-[2-(difluoromethoxy)-6-methylphenyl]-1-ethyl-1-(2-hydroxy-2-methylpropyl)urea
PubChem CID111790691
Molecular FormulaC15H22F2N2O3
Molecular Weight316.35 g/mol
Exact Mass316.16
IUPAC Name3-[2-(difluoromethoxy)-6-methylphenyl]-1-ethyl-1-(2-hydroxy-2-methylpropyl)urea
SMILESCCN(CC(C)(C)O)C(=O)Nc1c(C)cccc1OC(F)F
InChIInChI=1S/C15H22F2N2O3/c1-5-19(9-15(3,4)21)14(20)18-12-10(2)7-6-8-11(12)22-13(16)17/h6-8,13,21H,5,9H2,1-4H3,(H,18,20)
InChIKeyOXVPSDVSTRCKFJ-UHFFFAOYSA-N
XLogP3.22
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-chlorothiophen-2-yl)methyl]-3-[2-(difluoromethoxy)-6-methylphenyl]-1-ethylurea
CID 56557090
3-[3-chloro-4-(difluoromethoxy)phenyl]-1-ethyl-1-(2-hydroxy-2-methylpropyl)urea
CID 111790548
1-[(2-bromophenyl)methyl]-3-[2-(difluoromethoxy)-6-methylphenyl]-1-methylurea
CID 56586797
1-[2-(difluoromethoxy)-6-methylphenyl]-3-(2,2-dimethyl-1-thiophen-2-ylpropyl)urea
CID 56587117
(2S)-2-amino-N-[2-(difluoromethoxy)-6-methylphenyl]propanamide;hydrochloride
CID 119312538
7-amino-N-[2-(difluoromethoxy)-6-methylphenyl]heptanamide
CID 119764624
1-[2-(difluoromethoxy)-6-methylphenyl]-3-(3-ethyl-5-methyl-1,2-oxazol-4-yl)urea
CID 75457913
1-ethyl-1-(2-hydroxy-2-methylpropyl)-3-naphthalen-1-ylurea
CID 79378172
1-ethyl-1-(2-hydroxy-2-methylpropyl)-3-(2-methoxy-4-methylphenyl)urea
CID 111926113
1-[2-(difluoromethoxy)-6-methylphenyl]-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111111724
N-(2,6-dimethylphenyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide
CID 78963573
N-[[2-(difluoromethoxy)phenyl]methyl]-2-ethyl-6-methylaniline
CID 60924885

Frequently Asked Questions

What is the IUPAC name of 3-[2-(difluoromethoxy)-6-methylphenyl]-1-ethyl-1-(2-hydroxy-2-methylpropyl)urea?
The IUPAC name of 3-[2-(difluoromethoxy)-6-methylphenyl]-1-ethyl-1-(2-hydroxy-2-methylpropyl)urea (CID 111790691) is 3-[2-(difluoromethoxy)-6-methylphenyl]-1-ethyl-1-(2-hydroxy-2-methylpropyl)urea.
What is the SMILES notation for 3-[2-(difluoromethoxy)-6-methylphenyl]-1-ethyl-1-(2-hydroxy-2-methylpropyl)urea?
The canonical SMILES for 3-[2-(difluoromethoxy)-6-methylphenyl]-1-ethyl-1-(2-hydroxy-2-methylpropyl)urea is CCN(CC(C)(C)O)C(=O)Nc1c(C)cccc1OC(F)F.
What is the InChIKey of 3-[2-(difluoromethoxy)-6-methylphenyl]-1-ethyl-1-(2-hydroxy-2-methylpropyl)urea?
The InChIKey is OXVPSDVSTRCKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2O3/c1-5-19(9-15(3,4)21)14(20)18-12-10(2)7-6-8-11(12)22-13(16)17/h6-8,13,21H,5,9H2,1-4H3,(H,18,20).
What are the key properties of 3-[2-(difluoromethoxy)-6-methylphenyl]-1-ethyl-1-(2-hydroxy-2-methylpropyl)urea?
3-[2-(difluoromethoxy)-6-methylphenyl]-1-ethyl-1-(2-hydroxy-2-methylpropyl)urea has a molecular weight of 316.35 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(difluoromethoxy)-6-methylphenyl]-1-ethyl-1-(2-hydroxy-2-methylpropyl)urea is sourced from PubChem (CID 111790691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).