3-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]-3-methylbutanamide

C15H21N3O2 — CID 106096636

IUPAC3-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]-3-methylbutanamide
SMILESCC(C)(CC(N)=O)NC(=O)CC1CNc2ccccc21
InChIInChI=1S/C15H21N3O2/c1-15(2,8-13(16)19)18-14(20)7-10-9-17-12-6-4-3-5-11(10)12/h3-6,10,17H,7-9H2,1-2H3,(H2,16,19)(H,18,20)
InChIKeyUNPQWDYVKDTZGH-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.36
Rot. Bonds5

About 3-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]-3-methylbutanamide

3-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]-3-methylbutanamide (PubChem CID 106096636) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 3-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]-3-methylbutanamide.

Molecular Properties

Compound Name3-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]-3-methylbutanamide
PubChem CID106096636
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name3-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]-3-methylbutanamide
SMILESCC(C)(CC(N)=O)NC(=O)CC1CNc2ccccc21
InChIInChI=1S/C15H21N3O2/c1-15(2,8-13(16)19)18-14(20)7-10-9-17-12-6-4-3-5-11(10)12/h3-6,10,17H,7-9H2,1-2H3,(H2,16,19)(H,18,20)
InChIKeyUNPQWDYVKDTZGH-UHFFFAOYSA-N
XLogP1.36
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dihydro-1H-indol-3-yl)-N-(1-hydroxy-2-methylbutan-2-yl)acetamide
CID 80573453
2-(2,3-dihydro-1H-indol-3-yl)-N',N'-dimethylacetohydrazide
CID 83020755
2-(2,3-dihydro-1H-indol-3-yl)-N-pyridazin-3-ylacetamide
CID 116786750
(2R)-2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]-3,3-dimethylbutanoic acid
CID 103927350
(2S)-2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]-3,3-dimethylbutanoic acid
CID 80572442
(2S)-4-amino-2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]-4-oxobutanoic acid
CID 103870152
N-cyclohexyl-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 80573809
N-(cyanomethyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 80573201
2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]acetic acid
CID 80573099
2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]propanoic acid
CID 80573232
N-(2-cyclopropylethyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 80573388
N-(2-amino-2-oxoethyl)-2-(2,3-dihydro-1H-indol-3-yl)-N-methylacetamide
CID 80573654

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]-3-methylbutanamide?
The IUPAC name of 3-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]-3-methylbutanamide (CID 106096636) is 3-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]-3-methylbutanamide.
What is the SMILES notation for 3-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]-3-methylbutanamide?
The canonical SMILES for 3-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]-3-methylbutanamide is CC(C)(CC(N)=O)NC(=O)CC1CNc2ccccc21.
What is the InChIKey of 3-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]-3-methylbutanamide?
The InChIKey is UNPQWDYVKDTZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-15(2,8-13(16)19)18-14(20)7-10-9-17-12-6-4-3-5-11(10)12/h3-6,10,17H,7-9H2,1-2H3,(H2,16,19)(H,18,20).
What are the key properties of 3-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]-3-methylbutanamide?
3-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]-3-methylbutanamide has a molecular weight of 275.35 g/mol, XLogP of 1.36, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]-3-methylbutanamide is sourced from PubChem (CID 106096636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).