N-(2-aminoethyl)-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide

C13H17N3O2 — CID 82295802

IUPACN-(2-aminoethyl)-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide
SMILESCN1C(=O)Cc2cc(CC(=O)NCCN)ccc21
InChIInChI=1S/C13H17N3O2/c1-16-11-3-2-9(6-10(11)8-13(16)18)7-12(17)15-5-4-14/h2-3,6H,4-5,7-8,14H2,1H3,(H,15,17)
InChIKeyIKTSRQMASDRJCP-UHFFFAOYSA-N
MW247.30 g/mol
LogP-0.18
Rot. Bonds4

About N-(2-aminoethyl)-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide

N-(2-aminoethyl)-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide (PubChem CID 82295802) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide
PubChem CID82295802
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC NameN-(2-aminoethyl)-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide
SMILESCN1C(=O)Cc2cc(CC(=O)NCCN)ccc21
InChIInChI=1S/C13H17N3O2/c1-16-11-3-2-9(6-10(11)8-13(16)18)7-12(17)15-5-4-14/h2-3,6H,4-5,7-8,14H2,1H3,(H,15,17)
InChIKeyIKTSRQMASDRJCP-UHFFFAOYSA-N
XLogP-0.18
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-methyl-2-oxo-3H-indol-5-yl)-N-(2-phenylethyl)acetamide
CID 110768281
N-(cyanomethyl)-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide
CID 82477992
N-benzyl-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide
CID 110768263
N-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]-3-(4-methylphenyl)propanamide
CID 110788570
N-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]carbamoyl bromide
CID 115193913
1-amino-3-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]urea
CID 115192631
N-(4-acetamidophenyl)-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide
CID 110768364
N-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]carbamoyl chloride
CID 115194905
N-[2-(dimethylamino)ethyl]-2-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)acetamide
CID 110768552
N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]carbamoyl bromide
CID 115193579
2-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethylamino]-2-oxoacetic acid
CID 115141454
2-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethylamino]acetamide
CID 115260099

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide?
The IUPAC name of N-(2-aminoethyl)-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide (CID 82295802) is N-(2-aminoethyl)-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide.
What is the SMILES notation for N-(2-aminoethyl)-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide?
The canonical SMILES for N-(2-aminoethyl)-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide is CN1C(=O)Cc2cc(CC(=O)NCCN)ccc21.
What is the InChIKey of N-(2-aminoethyl)-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide?
The InChIKey is IKTSRQMASDRJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-16-11-3-2-9(6-10(11)8-13(16)18)7-12(17)15-5-4-14/h2-3,6H,4-5,7-8,14H2,1H3,(H,15,17).
What are the key properties of N-(2-aminoethyl)-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide?
N-(2-aminoethyl)-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide has a molecular weight of 247.30 g/mol, XLogP of -0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide is sourced from PubChem (CID 82295802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).