4-amino-N-(2-oxo-1,3-dihydroindol-5-yl)butanamide

C12H15N3O2 — CID 22690108

IUPAC4-amino-N-(2-oxo-1,3-dihydroindol-5-yl)butanamide
SMILESNCCCC(=O)Nc1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C12H15N3O2/c13-5-1-2-11(16)14-9-3-4-10-8(6-9)7-12(17)15-10/h3-4,6H,1-2,5,7,13H2,(H,14,16)(H,15,17)
InChIKeyWNHXZYNYPZTARX-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.86
Rot. Bonds4

About 4-amino-N-(2-oxo-1,3-dihydroindol-5-yl)butanamide

4-amino-N-(2-oxo-1,3-dihydroindol-5-yl)butanamide (PubChem CID 22690108) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 4-amino-N-(2-oxo-1,3-dihydroindol-5-yl)butanamide.

Molecular Properties

Compound Name4-amino-N-(2-oxo-1,3-dihydroindol-5-yl)butanamide
PubChem CID22690108
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name4-amino-N-(2-oxo-1,3-dihydroindol-5-yl)butanamide
SMILESNCCCC(=O)Nc1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C12H15N3O2/c13-5-1-2-11(16)14-9-3-4-10-8(6-9)7-12(17)15-10/h3-4,6H,1-2,5,7,13H2,(H,14,16)(H,15,17)
InChIKeyWNHXZYNYPZTARX-UHFFFAOYSA-N
XLogP0.86
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

7-amino-N-(2-oxo-1,3-dihydroindol-5-yl)heptanamide
CID 119709201
4-amino-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)butanamide
CID 119318721
7-amino-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)heptanamide
CID 43696923
7-amino-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)heptanamide
CID 119775274
4-amino-N-(2-oxo-1,3-dihydroindol-5-yl)pentanamide
CID 115156546
4-amino-N-(3-oxo-4H-1,4-benzoxazin-7-yl)butanamide;hydrochloride
CID 119279086
2-(2-fluorophenyl)-N-(2-oxo-1,3-dihydroindol-5-yl)acetamide
CID 110777106
3-cyclopentyl-N-(2-oxo-1,3-dihydroindol-5-yl)propanamide
CID 18570800
3-amino-2-hydroxy-N-(2-oxo-1,3-dihydroindol-5-yl)propanamide
CID 115180257
7-amino-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)heptanamide;hydrochloride
CID 119788407
3-(3-fluorophenyl)-N-(2-oxo-1,3-dihydroindol-5-yl)propanamide
CID 110777102
(2R)-2-amino-N-(2-oxo-1,3-dihydroindol-5-yl)propanamide
CID 119281522

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-oxo-1,3-dihydroindol-5-yl)butanamide?
The IUPAC name of 4-amino-N-(2-oxo-1,3-dihydroindol-5-yl)butanamide (CID 22690108) is 4-amino-N-(2-oxo-1,3-dihydroindol-5-yl)butanamide.
What is the SMILES notation for 4-amino-N-(2-oxo-1,3-dihydroindol-5-yl)butanamide?
The canonical SMILES for 4-amino-N-(2-oxo-1,3-dihydroindol-5-yl)butanamide is NCCCC(=O)Nc1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 4-amino-N-(2-oxo-1,3-dihydroindol-5-yl)butanamide?
The InChIKey is WNHXZYNYPZTARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c13-5-1-2-11(16)14-9-3-4-10-8(6-9)7-12(17)15-10/h3-4,6H,1-2,5,7,13H2,(H,14,16)(H,15,17).
What are the key properties of 4-amino-N-(2-oxo-1,3-dihydroindol-5-yl)butanamide?
4-amino-N-(2-oxo-1,3-dihydroindol-5-yl)butanamide has a molecular weight of 233.27 g/mol, XLogP of 0.86, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-oxo-1,3-dihydroindol-5-yl)butanamide is sourced from PubChem (CID 22690108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).