4-(2,3-dihydro-1H-indol-3-yl)butanamide

C12H16N2O — CID 67613869

IUPAC4-(2,3-dihydro-1H-indol-3-yl)butanamide
SMILESNC(=O)CCCC1CNc2ccccc21
InChIInChI=1S/C12H16N2O/c13-12(15)7-3-4-9-8-14-11-6-2-1-5-10(9)11/h1-2,5-6,9,14H,3-4,7-8H2,(H2,13,15)
InChIKeyYJWSGTUAXZOVFI-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.85
Rot. Bonds4

About 4-(2,3-dihydro-1H-indol-3-yl)butanamide

4-(2,3-dihydro-1H-indol-3-yl)butanamide (PubChem CID 67613869) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-indol-3-yl)butanamide.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-indol-3-yl)butanamide
PubChem CID67613869
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name4-(2,3-dihydro-1H-indol-3-yl)butanamide
SMILESNC(=O)CCCC1CNc2ccccc21
InChIInChI=1S/C12H16N2O/c13-12(15)7-3-4-9-8-14-11-6-2-1-5-10(9)11/h1-2,5-6,9,14H,3-4,7-8H2,(H2,13,15)
InChIKeyYJWSGTUAXZOVFI-UHFFFAOYSA-N
XLogP1.85
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(2,3-dihydro-1H-indol-3-yl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 3-(2,3-dihydro-1H-indol-3-yl)propanoate
CID 70913003
4-(1,2,3,4-tetrahydroquinolin-4-yl)butanoic acid
CID 67780838
(Z)-5-(2,3-dihydro-1H-indol-3-yl)-3-phenylpent-2-enoic acid
CID 70895655
N-[3-(2,3-dihydro-1H-indol-3-yl)propyl]cyclobutanamine
CID 115105527
N-cyclopentyl-3-(2,3-dihydro-1H-indol-3-yl)propanamide
CID 115105541
N-(2-amino-2-oxoethyl)-2-(2,3-dihydro-1H-indol-3-yl)-N-methylacetamide
CID 80573654
N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]octanamide
CID 43125233
3-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]-3-methylbutanamide
CID 106096636
[(1S)-1-carboxy-2-(2,3-dihydro-1H-indol-3-yl)ethyl]azanium
CID 162469017
N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]formamide
CID 89199878
(3R)-3-ethyl-2,3-dihydro-1H-indole
CID 92797412
2-(2,3-dihydro-1H-indol-3-yl)-1-(3-hydroxyazetidin-1-yl)ethanone
CID 107217538

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-indol-3-yl)butanamide?
The IUPAC name of 4-(2,3-dihydro-1H-indol-3-yl)butanamide (CID 67613869) is 4-(2,3-dihydro-1H-indol-3-yl)butanamide.
What is the SMILES notation for 4-(2,3-dihydro-1H-indol-3-yl)butanamide?
The canonical SMILES for 4-(2,3-dihydro-1H-indol-3-yl)butanamide is NC(=O)CCCC1CNc2ccccc21.
What is the InChIKey of 4-(2,3-dihydro-1H-indol-3-yl)butanamide?
The InChIKey is YJWSGTUAXZOVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c13-12(15)7-3-4-9-8-14-11-6-2-1-5-10(9)11/h1-2,5-6,9,14H,3-4,7-8H2,(H2,13,15).
What are the key properties of 4-(2,3-dihydro-1H-indol-3-yl)butanamide?
4-(2,3-dihydro-1H-indol-3-yl)butanamide has a molecular weight of 204.27 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-indol-3-yl)butanamide is sourced from PubChem (CID 67613869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).