[2-methyl-2-(1-methyl-2-oxo-3H-indol-5-yl)propyl]urea

C14H19N3O2 — CID 115168782

IUPAC[2-methyl-2-(1-methyl-2-oxo-3H-indol-5-yl)propyl]urea
SMILESCN1C(=O)Cc2cc(C(C)(C)CNC(N)=O)ccc21
InChIInChI=1S/C14H19N3O2/c1-14(2,8-16-13(15)19)10-4-5-11-9(6-10)7-12(18)17(11)3/h4-6H,7-8H2,1-3H3,(H3,15,16,19)
InChIKeyYJTPRJPAFPCLFS-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.15
Rot. Bonds3

About [2-methyl-2-(1-methyl-2-oxo-3H-indol-5-yl)propyl]urea

[2-methyl-2-(1-methyl-2-oxo-3H-indol-5-yl)propyl]urea (PubChem CID 115168782) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is [2-methyl-2-(1-methyl-2-oxo-3H-indol-5-yl)propyl]urea.

Molecular Properties

Compound Name[2-methyl-2-(1-methyl-2-oxo-3H-indol-5-yl)propyl]urea
PubChem CID115168782
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name[2-methyl-2-(1-methyl-2-oxo-3H-indol-5-yl)propyl]urea
SMILESCN1C(=O)Cc2cc(C(C)(C)CNC(N)=O)ccc21
InChIInChI=1S/C14H19N3O2/c1-14(2,8-16-13(15)19)10-4-5-11-9(6-10)7-12(18)17(11)3/h4-6H,7-8H2,1-3H3,(H3,15,16,19)
InChIKeyYJTPRJPAFPCLFS-UHFFFAOYSA-N
XLogP1.15
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2-amino-3-methylbutan-2-yl)-1-methyl-3H-indol-2-one
CID 82289779
3-methyl-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)butanoic acid
CID 79829837
[2-methyl-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propyl]urea
CID 115168783
5-(hydroxymethylamino)-1-methyl-3H-indol-2-one
CID 115228674
5-(4-amino-2,2-dimethylbutanoyl)-1-methyl-3H-indol-2-one
CID 116916336
1-amino-3-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]urea
CID 115192631
N-(2-aminoethyl)-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide
CID 82295802
N-(cyanomethyl)-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide
CID 82477992
6-(2-hydroxypropan-2-yl)-1-methyl-3,4-dihydroquinolin-2-one
CID 117312742
5-(2-hydroxy-2-methylpropyl)-1-methyl-3H-indol-2-one
CID 116928648
3-[(1-methyl-2-oxo-3H-indol-5-yl)amino]propanoic acid
CID 82496248
N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]carbamoyl bromide
CID 115193579

Frequently Asked Questions

What is the IUPAC name of [2-methyl-2-(1-methyl-2-oxo-3H-indol-5-yl)propyl]urea?
The IUPAC name of [2-methyl-2-(1-methyl-2-oxo-3H-indol-5-yl)propyl]urea (CID 115168782) is [2-methyl-2-(1-methyl-2-oxo-3H-indol-5-yl)propyl]urea.
What is the SMILES notation for [2-methyl-2-(1-methyl-2-oxo-3H-indol-5-yl)propyl]urea?
The canonical SMILES for [2-methyl-2-(1-methyl-2-oxo-3H-indol-5-yl)propyl]urea is CN1C(=O)Cc2cc(C(C)(C)CNC(N)=O)ccc21.
What is the InChIKey of [2-methyl-2-(1-methyl-2-oxo-3H-indol-5-yl)propyl]urea?
The InChIKey is YJTPRJPAFPCLFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-14(2,8-16-13(15)19)10-4-5-11-9(6-10)7-12(18)17(11)3/h4-6H,7-8H2,1-3H3,(H3,15,16,19).
What are the key properties of [2-methyl-2-(1-methyl-2-oxo-3H-indol-5-yl)propyl]urea?
[2-methyl-2-(1-methyl-2-oxo-3H-indol-5-yl)propyl]urea has a molecular weight of 261.32 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-2-(1-methyl-2-oxo-3H-indol-5-yl)propyl]urea is sourced from PubChem (CID 115168782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).