3-(1-ethylindol-6-yl)-1-(2-hydroxy-2-methylpropyl)-1-methylurea

C16H23N3O2 — CID 111754908

IUPAC3-(1-ethylindol-6-yl)-1-(2-hydroxy-2-methylpropyl)-1-methylurea
SMILESCCn1ccc2ccc(NC(=O)N(C)CC(C)(C)O)cc21
InChIInChI=1S/C16H23N3O2/c1-5-19-9-8-12-6-7-13(10-14(12)19)17-15(20)18(4)11-16(2,3)21/h6-10,21H,5,11H2,1-4H3,(H,17,20)
InChIKeyXVNCYGYBXUMMQK-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.90
Rot. Bonds4

About 3-(1-ethylindol-6-yl)-1-(2-hydroxy-2-methylpropyl)-1-methylurea

3-(1-ethylindol-6-yl)-1-(2-hydroxy-2-methylpropyl)-1-methylurea (PubChem CID 111754908) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-(1-ethylindol-6-yl)-1-(2-hydroxy-2-methylpropyl)-1-methylurea.

Molecular Properties

Compound Name3-(1-ethylindol-6-yl)-1-(2-hydroxy-2-methylpropyl)-1-methylurea
PubChem CID111754908
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name3-(1-ethylindol-6-yl)-1-(2-hydroxy-2-methylpropyl)-1-methylurea
SMILESCCn1ccc2ccc(NC(=O)N(C)CC(C)(C)O)cc21
InChIInChI=1S/C16H23N3O2/c1-5-19-9-8-12-6-7-13(10-14(12)19)17-15(20)18(4)11-16(2,3)21/h6-10,21H,5,11H2,1-4H3,(H,17,20)
InChIKeyXVNCYGYBXUMMQK-UHFFFAOYSA-N
XLogP2.90
TPSA57.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-hydroxy-2-methylpropyl)-1-methyl-3-(1-propylindol-5-yl)urea
CID 111926333
1-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-1-methyl-3-(1-methylindol-6-yl)urea
CID 99820657
N-(1-ethylindol-6-yl)pyrrolidine-1-carboxamide
CID 71874521
3-[3-chloro-4-(dimethylamino)phenyl]-1-(2-hydroxy-2-methylpropyl)-1-methylurea
CID 111926374
2-bromo-5-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]benzoic acid
CID 115296972
2-amino-2-methyl-N-(1-propylindol-6-yl)propanamide
CID 119331183
2-amino-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-2-methylpropanamide
CID 119891239
N-(1-ethylindol-6-yl)-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 71992076
3-[3-[(dimethylamino)methyl]phenyl]-1-(2-hydroxy-2-methylpropyl)-1-methylurea
CID 111601451
1-(2-hydroxy-2-methylpropyl)-1-methyl-3-(4-propan-2-yloxyphenyl)urea
CID 111754633
1-(3,4-dichlorophenyl)-3-(1-ethylindol-6-yl)sulfonylurea
CID 67684530
1-(1-ethylindol-6-yl)-3-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
CID 86816676

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylindol-6-yl)-1-(2-hydroxy-2-methylpropyl)-1-methylurea?
The IUPAC name of 3-(1-ethylindol-6-yl)-1-(2-hydroxy-2-methylpropyl)-1-methylurea (CID 111754908) is 3-(1-ethylindol-6-yl)-1-(2-hydroxy-2-methylpropyl)-1-methylurea.
What is the SMILES notation for 3-(1-ethylindol-6-yl)-1-(2-hydroxy-2-methylpropyl)-1-methylurea?
The canonical SMILES for 3-(1-ethylindol-6-yl)-1-(2-hydroxy-2-methylpropyl)-1-methylurea is CCn1ccc2ccc(NC(=O)N(C)CC(C)(C)O)cc21.
What is the InChIKey of 3-(1-ethylindol-6-yl)-1-(2-hydroxy-2-methylpropyl)-1-methylurea?
The InChIKey is XVNCYGYBXUMMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-5-19-9-8-12-6-7-13(10-14(12)19)17-15(20)18(4)11-16(2,3)21/h6-10,21H,5,11H2,1-4H3,(H,17,20).
What are the key properties of 3-(1-ethylindol-6-yl)-1-(2-hydroxy-2-methylpropyl)-1-methylurea?
3-(1-ethylindol-6-yl)-1-(2-hydroxy-2-methylpropyl)-1-methylurea has a molecular weight of 289.38 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylindol-6-yl)-1-(2-hydroxy-2-methylpropyl)-1-methylurea is sourced from PubChem (CID 111754908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).