[2-methyl-2-(1-methylindol-3-yl)propyl]urea

C14H19N3O — CID 19756239

IUPAC[2-methyl-2-(1-methylindol-3-yl)propyl]urea
SMILESCn1cc(C(C)(C)CNC(N)=O)c2ccccc21
InChIInChI=1S/C14H19N3O/c1-14(2,9-16-13(15)18)11-8-17(3)12-7-5-4-6-10(11)12/h4-8H,9H2,1-3H3,(H3,15,16,18)
InChIKeyTVRNYDUPUDXKAG-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.12
Rot. Bonds3

About [2-methyl-2-(1-methylindol-3-yl)propyl]urea

[2-methyl-2-(1-methylindol-3-yl)propyl]urea (PubChem CID 19756239) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is [2-methyl-2-(1-methylindol-3-yl)propyl]urea.

Molecular Properties

Compound Name[2-methyl-2-(1-methylindol-3-yl)propyl]urea
PubChem CID19756239
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name[2-methyl-2-(1-methylindol-3-yl)propyl]urea
SMILESCn1cc(C(C)(C)CNC(N)=O)c2ccccc21
InChIInChI=1S/C14H19N3O/c1-14(2,9-16-13(15)18)11-8-17(3)12-7-5-4-6-10(11)12/h4-8H,9H2,1-3H3,(H3,15,16,18)
InChIKeyTVRNYDUPUDXKAG-UHFFFAOYSA-N
XLogP2.12
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-4-(1-methylindol-3-yl)pentan-2-one
CID 12015252
[2-(1H-indol-3-yl)-2-methylpropyl]urea
CID 115168791
3-[1,1-bis(1-methylindol-3-yl)ethyl]-1-methylindole
CID 13205591
2-chloro-N-[2-(1-methylindol-3-yl)propan-2-yl]acetamide
CID 116829549
1-tert-butyl-3-[(1-methylindol-3-yl)methyl]urea
CID 110775093
2-methyl-2-(1-methylindol-3-yl)propaneperoxoic acid
CID 22943029
4-(1-methylindol-3-yl)butanamide
CID 175206986
3-amino-2,2-dimethyl-N-[(1-methylindol-3-yl)methyl]propanamide
CID 115154655
1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-methyl-3-(1-methylindol-3-yl)butan-1-one
CID 71695950
N-hydroxy-1-methylindole-3-sulfonamide
CID 82287794
2-hydroxy-2-methyl-3-[(1-methylindole-3-carbonyl)amino]propanoic acid
CID 66173597
5-[(1-methylindol-3-yl)methylamino]pentanamide
CID 106233935

Frequently Asked Questions

What is the IUPAC name of [2-methyl-2-(1-methylindol-3-yl)propyl]urea?
The IUPAC name of [2-methyl-2-(1-methylindol-3-yl)propyl]urea (CID 19756239) is [2-methyl-2-(1-methylindol-3-yl)propyl]urea.
What is the SMILES notation for [2-methyl-2-(1-methylindol-3-yl)propyl]urea?
The canonical SMILES for [2-methyl-2-(1-methylindol-3-yl)propyl]urea is Cn1cc(C(C)(C)CNC(N)=O)c2ccccc21.
What is the InChIKey of [2-methyl-2-(1-methylindol-3-yl)propyl]urea?
The InChIKey is TVRNYDUPUDXKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-14(2,9-16-13(15)18)11-8-17(3)12-7-5-4-6-10(11)12/h4-8H,9H2,1-3H3,(H3,15,16,18).
What are the key properties of [2-methyl-2-(1-methylindol-3-yl)propyl]urea?
[2-methyl-2-(1-methylindol-3-yl)propyl]urea has a molecular weight of 245.33 g/mol, XLogP of 2.12, 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-methylindol-3-yl)propyl]urea is sourced from PubChem (CID 19756239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).