1-ethyl-3-[1-[4-[(Z)-2-fluoroethenyl]cyclohexyl]oxypropan-2-yl]urea

C14H25FN2O2 — CID 167101202

IUPAC1-ethyl-3-[1-[4-[(Z)-2-fluoroethenyl]cyclohexyl]oxypropan-2-yl]urea
SMILESCCNC(=O)NC(C)COC1CCC(/C=C\F)CC1
InChIInChI=1S/C14H25FN2O2/c1-3-16-14(18)17-11(2)10-19-13-6-4-12(5-7-13)8-9-15/h8-9,11-13H,3-7,10H2,1-2H3,(H2,16,17,18)/b9-8-
InChIKeyVGDUAAZIOCFCDH-HJWRWDBZSA-N
MW272.36 g/mol
LogP2.75
Rot. Bonds6

About 1-ethyl-3-[1-[4-[(Z)-2-fluoroethenyl]cyclohexyl]oxypropan-2-yl]urea

1-ethyl-3-[1-[4-[(Z)-2-fluoroethenyl]cyclohexyl]oxypropan-2-yl]urea (PubChem CID 167101202) has the molecular formula C14H25FN2O2 and a molecular weight of 272.36 g/mol. Its IUPAC name is 1-ethyl-3-[1-[4-[(Z)-2-fluoroethenyl]cyclohexyl]oxypropan-2-yl]urea.

Molecular Properties

Compound Name1-ethyl-3-[1-[4-[(Z)-2-fluoroethenyl]cyclohexyl]oxypropan-2-yl]urea
PubChem CID167101202
Molecular FormulaC14H25FN2O2
Molecular Weight272.36 g/mol
Exact Mass272.19
IUPAC Name1-ethyl-3-[1-[4-[(Z)-2-fluoroethenyl]cyclohexyl]oxypropan-2-yl]urea
SMILESCCNC(=O)NC(C)COC1CCC(/C=C\F)CC1
InChIInChI=1S/C14H25FN2O2/c1-3-16-14(18)17-11(2)10-19-13-6-4-12(5-7-13)8-9-15/h8-9,11-13H,3-7,10H2,1-2H3,(H2,16,17,18)/b9-8-
InChIKeyVGDUAAZIOCFCDH-HJWRWDBZSA-N
XLogP2.75
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-ethyl-3-[1-[4-[(Z)-2-fluoroethenyl]cyclohexyl]oxypropan-2-yl]urea with MolForge

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Related Compounds

1-ethyl-3-[1-[2-(ethylcarbamoylamino)propoxy]propan-2-yl]urea
CID 158499294
1-ethyl-3-[(2R)-1-(2-methylpropoxy)propan-2-yl]urea
CID 97028932
1-ethyl-3-(1-fluoropropan-2-yl)urea
CID 126991916
1-ethyl-3-[(2R)-6-methylheptan-2-yl]urea
CID 94702761
1-ethyl-3-octan-2-ylurea
CID 56827686
1-ethyl-3-[(2S)-octan-2-yl]urea
CID 94866604
N-[1-(3-fluorocyclobutyl)oxypropan-2-yl]acetamide
CID 154946901
1-(1-ethoxypropan-2-yl)-3-(2,2,2-trifluoroethyl)urea
CID 115592823
ethane;1-ethyl-3-propan-2-ylurea
CID 156793066
1-ethyl-3-(1-pyrrolidin-1-ylpropan-2-yl)urea
CID 115590502
methyl 2-(ethylcarbamoylamino)propanoate
CID 60980356
1-(dihydroxymethyl)-3-ethylurea
CID 141116762

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[1-[4-[(Z)-2-fluoroethenyl]cyclohexyl]oxypropan-2-yl]urea?
The IUPAC name of 1-ethyl-3-[1-[4-[(Z)-2-fluoroethenyl]cyclohexyl]oxypropan-2-yl]urea (CID 167101202) is 1-ethyl-3-[1-[4-[(Z)-2-fluoroethenyl]cyclohexyl]oxypropan-2-yl]urea.
What is the SMILES notation for 1-ethyl-3-[1-[4-[(Z)-2-fluoroethenyl]cyclohexyl]oxypropan-2-yl]urea?
The canonical SMILES for 1-ethyl-3-[1-[4-[(Z)-2-fluoroethenyl]cyclohexyl]oxypropan-2-yl]urea is CCNC(=O)NC(C)COC1CCC(/C=C\F)CC1.
What is the InChIKey of 1-ethyl-3-[1-[4-[(Z)-2-fluoroethenyl]cyclohexyl]oxypropan-2-yl]urea?
The InChIKey is VGDUAAZIOCFCDH-HJWRWDBZSA-N. The full InChI is InChI=1S/C14H25FN2O2/c1-3-16-14(18)17-11(2)10-19-13-6-4-12(5-7-13)8-9-15/h8-9,11-13H,3-7,10H2,1-2H3,(H2,16,17,18)/b9-8-.
What are the key properties of 1-ethyl-3-[1-[4-[(Z)-2-fluoroethenyl]cyclohexyl]oxypropan-2-yl]urea?
1-ethyl-3-[1-[4-[(Z)-2-fluoroethenyl]cyclohexyl]oxypropan-2-yl]urea has a molecular weight of 272.36 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[1-[4-[(Z)-2-fluoroethenyl]cyclohexyl]oxypropan-2-yl]urea is sourced from PubChem (CID 167101202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).