3-amino-1-methyl-1-(1-methylindol-3-yl)urea

C11H14N4O — CID 115192506

IUPAC3-amino-1-methyl-1-(1-methylindol-3-yl)urea
SMILESCN(C(=O)NN)c1cn(C)c2ccccc12
InChIInChI=1S/C11H14N4O/c1-14-7-10(15(2)11(16)13-12)8-5-3-4-6-9(8)14/h3-7H,12H2,1-2H3,(H,13,16)
InChIKeyPGQDGCCVOULAFP-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.20
Rot. Bonds1

About 3-amino-1-methyl-1-(1-methylindol-3-yl)urea

3-amino-1-methyl-1-(1-methylindol-3-yl)urea (PubChem CID 115192506) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 3-amino-1-methyl-1-(1-methylindol-3-yl)urea.

Molecular Properties

Compound Name3-amino-1-methyl-1-(1-methylindol-3-yl)urea
PubChem CID115192506
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name3-amino-1-methyl-1-(1-methylindol-3-yl)urea
SMILESCN(C(=O)NN)c1cn(C)c2ccccc12
InChIInChI=1S/C11H14N4O/c1-14-7-10(15(2)11(16)13-12)8-5-3-4-6-9(8)14/h3-7H,12H2,1-2H3,(H,13,16)
InChIKeyPGQDGCCVOULAFP-UHFFFAOYSA-N
XLogP1.20
TPSA63.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-methyl-1-(1-methylindol-3-yl)urea
CID 115168227
3-amino-N,2,2-trimethyl-N-(1-methylindol-3-yl)propanamide
CID 115154587
3-amino-1-methyl-1-naphthalen-1-ylurea
CID 115192586
methyl 2-[methyl-(1-methylindol-3-yl)amino]acetate
CID 115232780
methyl 2-(1-methylindol-3-yl)propanoate
CID 11117483
N-methyl-2-(1-methylindol-3-yl)acetohydrazide
CID 116844810
2-amino-N-(1-methylindol-3-yl)-N-pyridin-4-ylacetamide
CID 19802660
3-(1-methylindol-3-yl)-1,1-dipropylurea
CID 40519468
N-[4-(aminomethyl)phenyl]-N,1-dimethylindol-3-amine
CID 117041625
1-methyl-3-(1-methylindol-3-yl)-1-(1-methylpiperidin-4-yl)urea
CID 16813051
4-amino-1-[methyl-(1-methylindol-3-yl)amino]butan-2-ol
CID 117039109
1-N,3-dimethyl-1-N-(1-methylindol-3-yl)butane-1,3-diamine
CID 115200498

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-methyl-1-(1-methylindol-3-yl)urea?
The IUPAC name of 3-amino-1-methyl-1-(1-methylindol-3-yl)urea (CID 115192506) is 3-amino-1-methyl-1-(1-methylindol-3-yl)urea.
What is the SMILES notation for 3-amino-1-methyl-1-(1-methylindol-3-yl)urea?
The canonical SMILES for 3-amino-1-methyl-1-(1-methylindol-3-yl)urea is CN(C(=O)NN)c1cn(C)c2ccccc12.
What is the InChIKey of 3-amino-1-methyl-1-(1-methylindol-3-yl)urea?
The InChIKey is PGQDGCCVOULAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-14-7-10(15(2)11(16)13-12)8-5-3-4-6-9(8)14/h3-7H,12H2,1-2H3,(H,13,16).
What are the key properties of 3-amino-1-methyl-1-(1-methylindol-3-yl)urea?
3-amino-1-methyl-1-(1-methylindol-3-yl)urea has a molecular weight of 218.26 g/mol, XLogP of 1.20, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-methyl-1-(1-methylindol-3-yl)urea is sourced from PubChem (CID 115192506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).