1-(2-hydroxy-2-methylpropyl)-1-methyl-3-(1-propylindol-5-yl)urea

C17H25N3O2 — CID 111926333

IUPAC1-(2-hydroxy-2-methylpropyl)-1-methyl-3-(1-propylindol-5-yl)urea
SMILESCCCn1ccc2cc(NC(=O)N(C)CC(C)(C)O)ccc21
InChIInChI=1S/C17H25N3O2/c1-5-9-20-10-8-13-11-14(6-7-15(13)20)18-16(21)19(4)12-17(2,3)22/h6-8,10-11,22H,5,9,12H2,1-4H3,(H,18,21)
InChIKeyWTCZDMLADTYNHI-UHFFFAOYSA-N
MW303.41 g/mol
LogP3.29
Rot. Bonds5

About 1-(2-hydroxy-2-methylpropyl)-1-methyl-3-(1-propylindol-5-yl)urea

1-(2-hydroxy-2-methylpropyl)-1-methyl-3-(1-propylindol-5-yl)urea (PubChem CID 111926333) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-(2-hydroxy-2-methylpropyl)-1-methyl-3-(1-propylindol-5-yl)urea.

Molecular Properties

Compound Name1-(2-hydroxy-2-methylpropyl)-1-methyl-3-(1-propylindol-5-yl)urea
PubChem CID111926333
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name1-(2-hydroxy-2-methylpropyl)-1-methyl-3-(1-propylindol-5-yl)urea
SMILESCCCn1ccc2cc(NC(=O)N(C)CC(C)(C)O)ccc21
InChIInChI=1S/C17H25N3O2/c1-5-9-20-10-8-13-11-14(6-7-15(13)20)18-16(21)19(4)12-17(2,3)22/h6-8,10-11,22H,5,9,12H2,1-4H3,(H,18,21)
InChIKeyWTCZDMLADTYNHI-UHFFFAOYSA-N
XLogP3.29
TPSA57.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-ethylindol-6-yl)-1-(2-hydroxy-2-methylpropyl)-1-methylurea
CID 111754908
2-methylsulfanyl-N-(1-propylindol-5-yl)acetamide
CID 49498410
4-amino-N-(1-propylindol-5-yl)butanamide;dihydrochloride
CID 119865627
1-(3-hydroxypropyl)-3-(1-propylindol-5-yl)urea
CID 110936400
1-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-1-methyl-3-(1-methylindol-6-yl)urea
CID 99820657
2-amino-2-methyl-N-(1-propylindol-6-yl)propanamide
CID 119331183
3-(dimethylsulfamoyl)-4-methoxy-N-(1-propylindol-5-yl)benzamide
CID 49498527
1-(4-hydroxycyclohexyl)-3-(1-propylindol-5-yl)urea
CID 110936399
3-[3-chloro-4-(dimethylamino)phenyl]-1-(2-hydroxy-2-methylpropyl)-1-methylurea
CID 111926374
N-(1-propylindol-5-yl)-1H-indazole-3-carboxamide
CID 60607032
2-chloro-N-(1-propylindol-5-yl)pyridine-4-carboxamide
CID 52806998
N-(1-propylindol-5-yl)pyrrolidine-2-carboxamide
CID 119865612

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2-methylpropyl)-1-methyl-3-(1-propylindol-5-yl)urea?
The IUPAC name of 1-(2-hydroxy-2-methylpropyl)-1-methyl-3-(1-propylindol-5-yl)urea (CID 111926333) is 1-(2-hydroxy-2-methylpropyl)-1-methyl-3-(1-propylindol-5-yl)urea.
What is the SMILES notation for 1-(2-hydroxy-2-methylpropyl)-1-methyl-3-(1-propylindol-5-yl)urea?
The canonical SMILES for 1-(2-hydroxy-2-methylpropyl)-1-methyl-3-(1-propylindol-5-yl)urea is CCCn1ccc2cc(NC(=O)N(C)CC(C)(C)O)ccc21.
What is the InChIKey of 1-(2-hydroxy-2-methylpropyl)-1-methyl-3-(1-propylindol-5-yl)urea?
The InChIKey is WTCZDMLADTYNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-5-9-20-10-8-13-11-14(6-7-15(13)20)18-16(21)19(4)12-17(2,3)22/h6-8,10-11,22H,5,9,12H2,1-4H3,(H,18,21).
What are the key properties of 1-(2-hydroxy-2-methylpropyl)-1-methyl-3-(1-propylindol-5-yl)urea?
1-(2-hydroxy-2-methylpropyl)-1-methyl-3-(1-propylindol-5-yl)urea has a molecular weight of 303.41 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2-methylpropyl)-1-methyl-3-(1-propylindol-5-yl)urea is sourced from PubChem (CID 111926333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).