1-(2,2-diethyl-4-hydroxybutyl)-3-(1H-indol-5-yl)urea

C17H25N3O2 — CID 111521138

IUPAC1-(2,2-diethyl-4-hydroxybutyl)-3-(1H-indol-5-yl)urea
SMILESCCC(CC)(CCO)CNC(=O)Nc1ccc2[nH]ccc2c1
InChIInChI=1S/C17H25N3O2/c1-3-17(4-2,8-10-21)12-19-16(22)20-14-5-6-15-13(11-14)7-9-18-15/h5-7,9,11,18,21H,3-4,8,10,12H2,1-2H3,(H2,19,20,22)
InChIKeyODWFSDTZENYGQS-UHFFFAOYSA-N
MW303.41 g/mol
LogP3.48
Rot. Bonds7

About 1-(2,2-diethyl-4-hydroxybutyl)-3-(1H-indol-5-yl)urea

1-(2,2-diethyl-4-hydroxybutyl)-3-(1H-indol-5-yl)urea (PubChem CID 111521138) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-(2,2-diethyl-4-hydroxybutyl)-3-(1H-indol-5-yl)urea.

Molecular Properties

Compound Name1-(2,2-diethyl-4-hydroxybutyl)-3-(1H-indol-5-yl)urea
PubChem CID111521138
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name1-(2,2-diethyl-4-hydroxybutyl)-3-(1H-indol-5-yl)urea
SMILESCCC(CC)(CCO)CNC(=O)Nc1ccc2[nH]ccc2c1
InChIInChI=1S/C17H25N3O2/c1-3-17(4-2,8-10-21)12-19-16(22)20-14-5-6-15-13(11-14)7-9-18-15/h5-7,9,11,18,21H,3-4,8,10,12H2,1-2H3,(H2,19,20,22)
InChIKeyODWFSDTZENYGQS-UHFFFAOYSA-N
XLogP3.48
TPSA77.15 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 53.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-hydroxy-2,5-dimethylhexyl)-3-(1H-indol-5-yl)urea
CID 111453354
2-(aminomethyl)-2-ethyl-N-(1H-indol-5-yl)butanamide
CID 115432352
1-(2,2-diethyl-4-hydroxybutyl)-3-[3-[(dimethylamino)methyl]phenyl]urea
CID 111499054
1-(1H-indol-5-yl)-3-(2-phenylethyl)urea
CID 155412352
1-(4-hydroxy-2,2-dimethylbutyl)-3-(2-methyl-1H-indol-5-yl)urea
CID 111474661
ethyl (2R,3S)-3-(1H-indol-5-ylcarbamoylamino)-2-methylbutanoate
CID 124625330
2-(diethylsulfamoyl)-N-(1H-indol-5-yl)acetamide
CID 71984625
1-(1H-indol-5-yl)-3-[(1S)-1-phenylpropyl]urea
CID 155432644
3-(1H-indol-5-ylamino)-2-methyl-3-oxopropanoic acid
CID 114898152
(2S)-2-amino-N-(1H-indol-5-yl)butanamide;hydrochloride
CID 119278221
3-hydroxy-N-(1H-indol-5-yl)-3-phenylbutanamide
CID 110024564
1-(1H-indol-6-yl)-3-pentylurea
CID 155412349

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-diethyl-4-hydroxybutyl)-3-(1H-indol-5-yl)urea?
The IUPAC name of 1-(2,2-diethyl-4-hydroxybutyl)-3-(1H-indol-5-yl)urea (CID 111521138) is 1-(2,2-diethyl-4-hydroxybutyl)-3-(1H-indol-5-yl)urea.
What is the SMILES notation for 1-(2,2-diethyl-4-hydroxybutyl)-3-(1H-indol-5-yl)urea?
The canonical SMILES for 1-(2,2-diethyl-4-hydroxybutyl)-3-(1H-indol-5-yl)urea is CCC(CC)(CCO)CNC(=O)Nc1ccc2[nH]ccc2c1.
What is the InChIKey of 1-(2,2-diethyl-4-hydroxybutyl)-3-(1H-indol-5-yl)urea?
The InChIKey is ODWFSDTZENYGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-3-17(4-2,8-10-21)12-19-16(22)20-14-5-6-15-13(11-14)7-9-18-15/h5-7,9,11,18,21H,3-4,8,10,12H2,1-2H3,(H2,19,20,22).
What are the key properties of 1-(2,2-diethyl-4-hydroxybutyl)-3-(1H-indol-5-yl)urea?
1-(2,2-diethyl-4-hydroxybutyl)-3-(1H-indol-5-yl)urea has a molecular weight of 303.41 g/mol, XLogP of 3.48, 7 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-diethyl-4-hydroxybutyl)-3-(1H-indol-5-yl)urea is sourced from PubChem (CID 111521138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).