3-amino-N-(1-methyl-2-oxo-3H-indol-5-yl)butanamide

C13H17N3O2 — CID 115153965

IUPAC3-amino-N-(1-methyl-2-oxo-3H-indol-5-yl)butanamide
SMILESCC(N)CC(=O)Nc1ccc2c(c1)CC(=O)N2C
InChIInChI=1S/C13H17N3O2/c1-8(14)5-12(17)15-10-3-4-11-9(6-10)7-13(18)16(11)2/h3-4,6,8H,5,7,14H2,1-2H3,(H,15,17)
InChIKeyDZQBZUBHFLDWMQ-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.88
Rot. Bonds3

About 3-amino-N-(1-methyl-2-oxo-3H-indol-5-yl)butanamide

3-amino-N-(1-methyl-2-oxo-3H-indol-5-yl)butanamide (PubChem CID 115153965) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 3-amino-N-(1-methyl-2-oxo-3H-indol-5-yl)butanamide.

Molecular Properties

Compound Name3-amino-N-(1-methyl-2-oxo-3H-indol-5-yl)butanamide
PubChem CID115153965
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name3-amino-N-(1-methyl-2-oxo-3H-indol-5-yl)butanamide
SMILESCC(N)CC(=O)Nc1ccc2c(c1)CC(=O)N2C
InChIInChI=1S/C13H17N3O2/c1-8(14)5-12(17)15-10-3-4-11-9(6-10)7-13(18)16(11)2/h3-4,6,8H,5,7,14H2,1-2H3,(H,15,17)
InChIKeyDZQBZUBHFLDWMQ-UHFFFAOYSA-N
XLogP0.88
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-methyl-2-oxo-3H-indol-5-yl)butanamide?
The IUPAC name of 3-amino-N-(1-methyl-2-oxo-3H-indol-5-yl)butanamide (CID 115153965) is 3-amino-N-(1-methyl-2-oxo-3H-indol-5-yl)butanamide.
What is the SMILES notation for 3-amino-N-(1-methyl-2-oxo-3H-indol-5-yl)butanamide?
The canonical SMILES for 3-amino-N-(1-methyl-2-oxo-3H-indol-5-yl)butanamide is CC(N)CC(=O)Nc1ccc2c(c1)CC(=O)N2C.
What is the InChIKey of 3-amino-N-(1-methyl-2-oxo-3H-indol-5-yl)butanamide?
The InChIKey is DZQBZUBHFLDWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-8(14)5-12(17)15-10-3-4-11-9(6-10)7-13(18)16(11)2/h3-4,6,8H,5,7,14H2,1-2H3,(H,15,17).
What are the key properties of 3-amino-N-(1-methyl-2-oxo-3H-indol-5-yl)butanamide?
3-amino-N-(1-methyl-2-oxo-3H-indol-5-yl)butanamide has a molecular weight of 247.30 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-methyl-2-oxo-3H-indol-5-yl)butanamide is sourced from PubChem (CID 115153965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).