3-(9H-fluoren-2-yl)-1-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-1-methylurea

C20H24N2O3 — CID 75470123

IUPAC3-(9H-fluoren-2-yl)-1-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-1-methylurea
SMILESCN(CC(C)(CO)CO)C(=O)Nc1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C20H24N2O3/c1-20(12-23,13-24)11-22(2)19(25)21-16-7-8-18-15(10-16)9-14-5-3-4-6-17(14)18/h3-8,10,23-24H,9,11-13H2,1-2H3,(H,21,25)
InChIKeyFAZOIVXLVSAQGW-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.71
Rot. Bonds5

About 3-(9H-fluoren-2-yl)-1-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-1-methylurea

3-(9H-fluoren-2-yl)-1-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-1-methylurea (PubChem CID 75470123) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 3-(9H-fluoren-2-yl)-1-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-1-methylurea.

Molecular Properties

Compound Name3-(9H-fluoren-2-yl)-1-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-1-methylurea
PubChem CID75470123
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name3-(9H-fluoren-2-yl)-1-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-1-methylurea
SMILESCN(CC(C)(CO)CO)C(=O)Nc1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C20H24N2O3/c1-20(12-23,13-24)11-22(2)19(25)21-16-7-8-18-15(10-16)9-14-5-3-4-6-17(14)18/h3-8,10,23-24H,9,11-13H2,1-2H3,(H,21,25)
InChIKeyFAZOIVXLVSAQGW-UHFFFAOYSA-N
XLogP2.71
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-[9H-fluoren-2-ylcarbamoyl(methyl)amino]acetamide
CID 86987567
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3-(9H-fluoren-2-yl)-1-methyl-1-(1-methylsulfinylpropan-2-yl)urea
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[(2S)-1-(9H-fluoren-2-ylamino)-1-oxopropan-2-yl]azanium
CID 2220327
2-(4-acetamidophenyl)-N-(9H-fluoren-2-yl)acetamide
CID 30755196
ethyl 2-(9H-fluoren-2-ylamino)-2-oxoacetate
CID 3033193
1-(2-ethyl-2-hydroxybutyl)-3-(9H-fluoren-2-yl)urea
CID 51131990
(3S)-N-(9H-fluoren-3-yl)-4,4,4-trifluoro-3-hydroxy-3-methylbutanamide
CID 9088321
2-[benzenesulfonyl(methyl)amino]-N-(9H-fluoren-2-yl)acetamide
CID 46408845
2-tert-butyl-1-(9H-fluoren-2-yl)guanidine
CID 62379249
(2S)-2-amino-4-(9H-fluoren-2-ylamino)-4-oxobutanoic acid
CID 11369932

Frequently Asked Questions

What is the IUPAC name of 3-(9H-fluoren-2-yl)-1-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-1-methylurea?
The IUPAC name of 3-(9H-fluoren-2-yl)-1-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-1-methylurea (CID 75470123) is 3-(9H-fluoren-2-yl)-1-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-1-methylurea.
What is the SMILES notation for 3-(9H-fluoren-2-yl)-1-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-1-methylurea?
The canonical SMILES for 3-(9H-fluoren-2-yl)-1-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-1-methylurea is CN(CC(C)(CO)CO)C(=O)Nc1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of 3-(9H-fluoren-2-yl)-1-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-1-methylurea?
The InChIKey is FAZOIVXLVSAQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-20(12-23,13-24)11-22(2)19(25)21-16-7-8-18-15(10-16)9-14-5-3-4-6-17(14)18/h3-8,10,23-24H,9,11-13H2,1-2H3,(H,21,25).
What are the key properties of 3-(9H-fluoren-2-yl)-1-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-1-methylurea?
3-(9H-fluoren-2-yl)-1-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-1-methylurea has a molecular weight of 340.42 g/mol, XLogP of 2.71, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9H-fluoren-2-yl)-1-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-1-methylurea is sourced from PubChem (CID 75470123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).