(2S)-2-acetamido-3-(1H-indol-3-yl)-N-propan-2-ylpropanamide

C16H21N3O2 — CID 40720853

IUPAC(2S)-2-acetamido-3-(1H-indol-3-yl)-N-propan-2-ylpropanamide
SMILESCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC(C)C
InChIInChI=1S/C16H21N3O2/c1-10(2)18-16(21)15(19-11(3)20)8-12-9-17-14-7-5-4-6-13(12)14/h4-7,9-10,15,17H,8H2,1-3H3,(H,18,21)(H,19,20)/t15-/m0/s1
InChIKeyURSSBMGCJKQFGN-HNNXBMFYSA-N
MW287.36 g/mol
LogP1.74
Rot. Bonds5

About (2S)-2-acetamido-3-(1H-indol-3-yl)-N-propan-2-ylpropanamide

(2S)-2-acetamido-3-(1H-indol-3-yl)-N-propan-2-ylpropanamide (PubChem CID 40720853) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is (2S)-2-acetamido-3-(1H-indol-3-yl)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name(2S)-2-acetamido-3-(1H-indol-3-yl)-N-propan-2-ylpropanamide
PubChem CID40720853
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name(2S)-2-acetamido-3-(1H-indol-3-yl)-N-propan-2-ylpropanamide
SMILESCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC(C)C
InChIInChI=1S/C16H21N3O2/c1-10(2)18-16(21)15(19-11(3)20)8-12-9-17-14-7-5-4-6-13(12)14/h4-7,9-10,15,17H,8H2,1-3H3,(H,18,21)(H,19,20)/t15-/m0/s1
InChIKeyURSSBMGCJKQFGN-HNNXBMFYSA-N
XLogP1.74
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze (2S)-2-acetamido-3-(1H-indol-3-yl)-N-propan-2-ylpropanamide 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-acetamido-3-(1H-indol-3-yl)-N-(1-phenylethyl)propanamide
CID 4224605
(2S)-2-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-3-methylbutanoic acid
CID 71396240
2-acetamido-N-[1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]-3-(1H-indol-3-yl)propanamide
CID 23276981
2-acetamido-3-(1H-indol-3-yl)-N-phenylpropanamide
CID 46449928
2-acetamido-3-(1H-indol-3-yl)-N-[1-(2-methylphenyl)ethyl]propanamide
CID 51164456
(2S)-3-(1H-indol-3-yl)-2-(phenylcarbamoylamino)-N-propan-2-ylpropanamide
CID 110286300
2-acetamido-N-[1-(2-chlorophenyl)ethyl]-3-(1H-indol-3-yl)propanamide
CID 51163488
S-propyl (2S)-2-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]propanethioate
CID 132918986
(2S)-3-(1H-indol-3-yl)-2-(3-phenylpropanoylamino)-N-propan-2-ylpropanamide
CID 110286296
(2S)-2-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanamide
CID 15923665
sodium;2-acetamido-3-(1H-indol-3-yl)propanoate;tetrahydrate
CID 172794214
3-[[(2R)-3-(1H-indol-3-yl)-1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]propane-1-sulfonic acid
CID 59771475

Frequently Asked Questions

What is the IUPAC name of (2S)-2-acetamido-3-(1H-indol-3-yl)-N-propan-2-ylpropanamide?
The IUPAC name of (2S)-2-acetamido-3-(1H-indol-3-yl)-N-propan-2-ylpropanamide (CID 40720853) is (2S)-2-acetamido-3-(1H-indol-3-yl)-N-propan-2-ylpropanamide.
What is the SMILES notation for (2S)-2-acetamido-3-(1H-indol-3-yl)-N-propan-2-ylpropanamide?
The canonical SMILES for (2S)-2-acetamido-3-(1H-indol-3-yl)-N-propan-2-ylpropanamide is CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC(C)C.
What is the InChIKey of (2S)-2-acetamido-3-(1H-indol-3-yl)-N-propan-2-ylpropanamide?
The InChIKey is URSSBMGCJKQFGN-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-10(2)18-16(21)15(19-11(3)20)8-12-9-17-14-7-5-4-6-13(12)14/h4-7,9-10,15,17H,8H2,1-3H3,(H,18,21)(H,19,20)/t15-/m0/s1.
What are the key properties of (2S)-2-acetamido-3-(1H-indol-3-yl)-N-propan-2-ylpropanamide?
(2S)-2-acetamido-3-(1H-indol-3-yl)-N-propan-2-ylpropanamide has a molecular weight of 287.36 g/mol, XLogP of 1.74, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-acetamido-3-(1H-indol-3-yl)-N-propan-2-ylpropanamide is sourced from PubChem (CID 40720853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).