2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-(methylcarbamoyl)acetamide

C14H19N3O2 — CID 47147183

IUPAC2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-(methylcarbamoyl)acetamide
SMILESCNC(=O)NC(=O)CN(C)C1CCc2ccccc21
InChIInChI=1S/C14H19N3O2/c1-15-14(19)16-13(18)9-17(2)12-8-7-10-5-3-4-6-11(10)12/h3-6,12H,7-9H2,1-2H3,(H2,15,16,18,19)
InChIKeyGWEJMNNHPOYYMV-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.06
Rot. Bonds3

About 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-(methylcarbamoyl)acetamide

2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-(methylcarbamoyl)acetamide (PubChem CID 47147183) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-(methylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-(methylcarbamoyl)acetamide
PubChem CID47147183
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-(methylcarbamoyl)acetamide
SMILESCNC(=O)NC(=O)CN(C)C1CCc2ccccc21
InChIInChI=1S/C14H19N3O2/c1-15-14(19)16-13(18)9-17(2)12-8-7-10-5-3-4-6-11(10)12/h3-6,12H,7-9H2,1-2H3,(H2,15,16,18,19)
InChIKeyGWEJMNNHPOYYMV-UHFFFAOYSA-N
XLogP1.06
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-(methylcarbamoyl)acetamide?
The IUPAC name of 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-(methylcarbamoyl)acetamide (CID 47147183) is 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-(methylcarbamoyl)acetamide.
What is the SMILES notation for 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-(methylcarbamoyl)acetamide?
The canonical SMILES for 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-(methylcarbamoyl)acetamide is CNC(=O)NC(=O)CN(C)C1CCc2ccccc21.
What is the InChIKey of 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-(methylcarbamoyl)acetamide?
The InChIKey is GWEJMNNHPOYYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-15-14(19)16-13(18)9-17(2)12-8-7-10-5-3-4-6-11(10)12/h3-6,12H,7-9H2,1-2H3,(H2,15,16,18,19).
What are the key properties of 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-(methylcarbamoyl)acetamide?
2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-(methylcarbamoyl)acetamide has a molecular weight of 261.32 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-(methylcarbamoyl)acetamide is sourced from PubChem (CID 47147183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).