2-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethylamino]acetamide

C13H17N3O2 — CID 115260099

IUPAC2-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethylamino]acetamide
SMILESCN1C(=O)Cc2cc(CCNCC(N)=O)ccc21
InChIInChI=1S/C13H17N3O2/c1-16-11-3-2-9(4-5-15-8-12(14)17)6-10(11)7-13(16)18/h2-3,6,15H,4-5,7-8H2,1H3,(H2,14,17)
InChIKeyKCRZASQOVMFXAZ-UHFFFAOYSA-N
MW247.30 g/mol
LogP-0.18
Rot. Bonds5

About 2-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethylamino]acetamide

2-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethylamino]acetamide (PubChem CID 115260099) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethylamino]acetamide.

Molecular Properties

Compound Name2-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethylamino]acetamide
PubChem CID115260099
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name2-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethylamino]acetamide
SMILESCN1C(=O)Cc2cc(CCNCC(N)=O)ccc21
InChIInChI=1S/C13H17N3O2/c1-16-11-3-2-9(4-5-15-8-12(14)17)6-10(11)7-13(16)18/h2-3,6,15H,4-5,7-8H2,1H3,(H2,14,17)
InChIKeyKCRZASQOVMFXAZ-UHFFFAOYSA-N
XLogP-0.18
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-methyl-5-[2-(2-sulfanylethylamino)ethyl]-3H-indol-2-one
CID 115224218
N-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]carbamoyl bromide
CID 115193913
N-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]carbamoyl chloride
CID 115194905
2-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethylamino]-2-oxoacetic acid
CID 115141454
1-methyl-5-(3-oxobutyl)-3H-indol-2-one
CID 82471813
1-methyl-5-[2-(propan-2-ylamino)ethyl]-3H-indol-2-one
CID 82475334
6-[2-(hydroxymethylamino)ethyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 115229304
N-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]-3-(4-methylphenyl)propanamide
CID 110788570
methyl 4-(1-methyl-2-oxo-3H-indol-5-yl)butanoate
CID 82350338
N-(2-aminoethyl)-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide
CID 82295802
2-(1-methyl-2-oxo-3H-indol-5-yl)-N-(2-phenylethyl)acetamide
CID 110768281
1-benzyl-3-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]urea
CID 110775797

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethylamino]acetamide?
The IUPAC name of 2-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethylamino]acetamide (CID 115260099) is 2-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethylamino]acetamide.
What is the SMILES notation for 2-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethylamino]acetamide?
The canonical SMILES for 2-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethylamino]acetamide is CN1C(=O)Cc2cc(CCNCC(N)=O)ccc21.
What is the InChIKey of 2-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethylamino]acetamide?
The InChIKey is KCRZASQOVMFXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-16-11-3-2-9(4-5-15-8-12(14)17)6-10(11)7-13(16)18/h2-3,6,15H,4-5,7-8H2,1H3,(H2,14,17).
What are the key properties of 2-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethylamino]acetamide?
2-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethylamino]acetamide has a molecular weight of 247.30 g/mol, XLogP of -0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethylamino]acetamide is sourced from PubChem (CID 115260099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).