2-amino-N-[1-(1H-indol-3-yl)-3-oxobutan-2-yl]-3-methylbutanamide

C17H23N3O2 — CID 172572084

IUPAC2-amino-N-[1-(1H-indol-3-yl)-3-oxobutan-2-yl]-3-methylbutanamide
SMILESCC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(N)C(C)C
InChIInChI=1S/C17H23N3O2/c1-10(2)16(18)17(22)20-15(11(3)21)8-12-9-19-14-7-5-4-6-13(12)14/h4-7,9-10,15-16,19H,8,18H2,1-3H3,(H,20,22)
InChIKeyCZKWNIUZMWBHNG-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.77
Rot. Bonds6

About 2-amino-N-[1-(1H-indol-3-yl)-3-oxobutan-2-yl]-3-methylbutanamide

2-amino-N-[1-(1H-indol-3-yl)-3-oxobutan-2-yl]-3-methylbutanamide (PubChem CID 172572084) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-amino-N-[1-(1H-indol-3-yl)-3-oxobutan-2-yl]-3-methylbutanamide.

Molecular Properties

Compound Name2-amino-N-[1-(1H-indol-3-yl)-3-oxobutan-2-yl]-3-methylbutanamide
PubChem CID172572084
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name2-amino-N-[1-(1H-indol-3-yl)-3-oxobutan-2-yl]-3-methylbutanamide
SMILESCC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(N)C(C)C
InChIInChI=1S/C17H23N3O2/c1-10(2)16(18)17(22)20-15(11(3)21)8-12-9-19-14-7-5-4-6-13(12)14/h4-7,9-10,15-16,19H,8,18H2,1-3H3,(H,20,22)
InChIKeyCZKWNIUZMWBHNG-UHFFFAOYSA-N
XLogP1.77
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-amino-N-[1-(1H-indol-3-yl)-3-oxobutan-2-yl]-3-methylbutanamide 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

2-[[2-[(2-amino-3-methylbutanoyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
CID 18232551
(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
CID 10199409
(2S)-2-[[(2S,3R)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-hydroxybutanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
CID 145459055
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoic acid
CID 11965533
2-[[2-[(2-amino-3-methylbutanoyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
CID 18232552
methyl N-[1-(1H-indol-3-yl)-3-oxobutan-2-yl]carbamate
CID 76748095
2-[[2-[[2-[[2-[(2-amino-3-hydroxybutanoyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxybutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylbutanamide
CID 19375322
N-[1-(1H-indol-3-yl)-3-oxobutan-2-yl]benzamide
CID 59929836
3-(1H-indol-3-yl)-2-(2-methylpropanoylamino)propanoic acid
CID 582733
methyl (2S)-2-[[(2S)-2,3-dimethylbutanoyl]amino]-3-(1H-indol-3-yl)propanoate
CID 118314929
2-[[2-[(2-amino-3-hydroxybutanoyl)amino]-3-sulfanylpropanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
CID 18224266
2-[[2-[2-[(2-amino-3-hydroxybutanoyl)amino]propanoylamino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
CID 18745453

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(1H-indol-3-yl)-3-oxobutan-2-yl]-3-methylbutanamide?
The IUPAC name of 2-amino-N-[1-(1H-indol-3-yl)-3-oxobutan-2-yl]-3-methylbutanamide (CID 172572084) is 2-amino-N-[1-(1H-indol-3-yl)-3-oxobutan-2-yl]-3-methylbutanamide.
What is the SMILES notation for 2-amino-N-[1-(1H-indol-3-yl)-3-oxobutan-2-yl]-3-methylbutanamide?
The canonical SMILES for 2-amino-N-[1-(1H-indol-3-yl)-3-oxobutan-2-yl]-3-methylbutanamide is CC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(N)C(C)C.
What is the InChIKey of 2-amino-N-[1-(1H-indol-3-yl)-3-oxobutan-2-yl]-3-methylbutanamide?
The InChIKey is CZKWNIUZMWBHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-10(2)16(18)17(22)20-15(11(3)21)8-12-9-19-14-7-5-4-6-13(12)14/h4-7,9-10,15-16,19H,8,18H2,1-3H3,(H,20,22).
What are the key properties of 2-amino-N-[1-(1H-indol-3-yl)-3-oxobutan-2-yl]-3-methylbutanamide?
2-amino-N-[1-(1H-indol-3-yl)-3-oxobutan-2-yl]-3-methylbutanamide has a molecular weight of 301.39 g/mol, XLogP of 1.77, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(1H-indol-3-yl)-3-oxobutan-2-yl]-3-methylbutanamide is sourced from PubChem (CID 172572084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).