1-(2-ethyl-2-hydroxybutyl)-3-(9H-fluoren-2-yl)urea

C20H24N2O2 — CID 51131990

IUPAC1-(2-ethyl-2-hydroxybutyl)-3-(9H-fluoren-2-yl)urea
SMILESCCC(O)(CC)CNC(=O)Nc1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C20H24N2O2/c1-3-20(24,4-2)13-21-19(23)22-16-9-10-18-15(12-16)11-14-7-5-6-8-17(14)18/h5-10,12,24H,3-4,11,13H2,1-2H3,(H2,21,22,23)
InChIKeyXKJQIZSDPZDLEN-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.93
Rot. Bonds5

About 1-(2-ethyl-2-hydroxybutyl)-3-(9H-fluoren-2-yl)urea

1-(2-ethyl-2-hydroxybutyl)-3-(9H-fluoren-2-yl)urea (PubChem CID 51131990) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 1-(2-ethyl-2-hydroxybutyl)-3-(9H-fluoren-2-yl)urea.

Molecular Properties

Compound Name1-(2-ethyl-2-hydroxybutyl)-3-(9H-fluoren-2-yl)urea
PubChem CID51131990
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name1-(2-ethyl-2-hydroxybutyl)-3-(9H-fluoren-2-yl)urea
SMILESCCC(O)(CC)CNC(=O)Nc1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C20H24N2O2/c1-3-20(24,4-2)13-21-19(23)22-16-9-10-18-15(12-16)11-14-7-5-6-8-17(14)18/h5-10,12,24H,3-4,11,13H2,1-2H3,(H2,21,22,23)
InChIKeyXKJQIZSDPZDLEN-UHFFFAOYSA-N
XLogP3.93
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9H-fluoren-2-yl)-2-(phenylcarbamoylamino)acetamide
CID 24583638
[(2S)-1-(9H-fluoren-2-ylamino)-1-oxopropan-2-yl]azanium
CID 2220327
ethyl 2-(9H-fluoren-2-ylamino)-2-oxoacetate
CID 3033193
1-[4-(cyanomethyl)phenyl]-3-[3-[[7-[[3-[[4-(cyanomethyl)phenyl]carbamoylamino]-2,2-dimethylpropyl]carbamoylamino]-9H-fluoren-2-yl]carbamoylamino]-2,2-dimethylpropyl]urea
CID 70806281
2-amino-N-(9H-fluoren-2-yl)pentanamide
CID 43650050
N-(9H-fluoren-2-ylcarbamothioyl)acetamide
CID 17099951
1-(2-ethyl-2-hydroxybutyl)-3-(4-piperidin-1-ylphenyl)urea
CID 111103418
2-(4-acetamidophenyl)-N-(9H-fluoren-2-yl)acetamide
CID 30755196
1-amino-2-ethyl-3-(9H-fluoren-2-yl)guanidine
CID 116511868
2-(9H-fluoren-2-ylamino)-N-propylacetamide
CID 28574289
1-(3-chloro-4-methoxyphenyl)-3-(2-ethyl-2-hydroxybutyl)urea
CID 110919114
1-[4-(isocyanatomethyl)phenyl]-3-[3-[[7-[[3-[[4-(isocyanatomethyl)phenyl]carbamoylamino]-2,2-dimethylpropyl]carbamoylamino]-9H-fluoren-2-yl]carbamoylamino]-2,2-dimethylpropyl]urea
CID 88984504

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-2-hydroxybutyl)-3-(9H-fluoren-2-yl)urea?
The IUPAC name of 1-(2-ethyl-2-hydroxybutyl)-3-(9H-fluoren-2-yl)urea (CID 51131990) is 1-(2-ethyl-2-hydroxybutyl)-3-(9H-fluoren-2-yl)urea.
What is the SMILES notation for 1-(2-ethyl-2-hydroxybutyl)-3-(9H-fluoren-2-yl)urea?
The canonical SMILES for 1-(2-ethyl-2-hydroxybutyl)-3-(9H-fluoren-2-yl)urea is CCC(O)(CC)CNC(=O)Nc1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of 1-(2-ethyl-2-hydroxybutyl)-3-(9H-fluoren-2-yl)urea?
The InChIKey is XKJQIZSDPZDLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-3-20(24,4-2)13-21-19(23)22-16-9-10-18-15(12-16)11-14-7-5-6-8-17(14)18/h5-10,12,24H,3-4,11,13H2,1-2H3,(H2,21,22,23).
What are the key properties of 1-(2-ethyl-2-hydroxybutyl)-3-(9H-fluoren-2-yl)urea?
1-(2-ethyl-2-hydroxybutyl)-3-(9H-fluoren-2-yl)urea has a molecular weight of 324.42 g/mol, XLogP of 3.93, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-2-hydroxybutyl)-3-(9H-fluoren-2-yl)urea is sourced from PubChem (CID 51131990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).