2-(dimethylamino)-N-[(2S)-1-(1H-indol-3-yl)-3-oxopropan-2-yl]acetamide

C15H19N3O2 — CID 122692537

IUPAC2-(dimethylamino)-N-[(2S)-1-(1H-indol-3-yl)-3-oxopropan-2-yl]acetamide
SMILESCN(C)CC(=O)N[C@H](C=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C15H19N3O2/c1-18(2)9-15(20)17-12(10-19)7-11-8-16-14-6-4-3-5-13(11)14/h3-6,8,10,12,16H,7,9H2,1-2H3,(H,17,20)/t12-/m0/s1
InChIKeyXIIKZOXODWBCON-LBPRGKRZSA-N
MW273.34 g/mol
LogP0.96
Rot. Bonds6

About 2-(dimethylamino)-N-[(2S)-1-(1H-indol-3-yl)-3-oxopropan-2-yl]acetamide

2-(dimethylamino)-N-[(2S)-1-(1H-indol-3-yl)-3-oxopropan-2-yl]acetamide (PubChem CID 122692537) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[(2S)-1-(1H-indol-3-yl)-3-oxopropan-2-yl]acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[(2S)-1-(1H-indol-3-yl)-3-oxopropan-2-yl]acetamide
PubChem CID122692537
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2-(dimethylamino)-N-[(2S)-1-(1H-indol-3-yl)-3-oxopropan-2-yl]acetamide
SMILESCN(C)CC(=O)N[C@H](C=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C15H19N3O2/c1-18(2)9-15(20)17-12(10-19)7-11-8-16-14-6-4-3-5-13(11)14/h3-6,8,10,12,16H,7,9H2,1-2H3,(H,17,20)/t12-/m0/s1
InChIKeyXIIKZOXODWBCON-LBPRGKRZSA-N
XLogP0.96
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-aminooxy-N-[(2S)-1-(1H-indol-3-yl)-3-oxopropan-2-yl]acetamide
CID 89438792
(2S)-3-(1H-indol-3-yl)-2-(1H-indol-3-ylamino)propanal
CID 88877351
(2S)-2-amino-N-[(2S)-1-[deuterio-[(2S)-1-(1H-indol-3-yl)-3-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-3-(1H-indol-3-yl)propanamide
CID 123380763
[(2S)-1-(dimethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]azanium chloride
CID 10516015
2-amino-3-(1H-indol-3-yl)propanal;methanol
CID 144925794
2-amino-3-(1H-indol-3-yl)-N-[1-oxo-1-[(1-oxo-3-phenylpropan-2-yl)amino]propan-2-yl]propanamide
CID 101012785
benzyl N-[(2S)-3-(1H-indol-3-yl)-1-[[(2S)-1-(1H-indol-3-yl)-3-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamate
CID 15289316
3-(1H-indol-3-yl)-2-methoxy-N,N-dimethylpropanamide
CID 163055572
(2S,3R)-N-[(2S)-1-(1H-indol-3-yl)-3-oxopropan-2-yl]-3-methyl-2-(naphthalen-1-ylcarbamoylamino)pentanamide
CID 100924806
2-chloro-N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]acetamide
CID 1162947
N-[1-(1H-indol-3-yl)-3-oxobutan-2-yl]formamide
CID 123425108
[2-[[(2S)-1-(1H-indol-3-yl)propan-2-yl]amino]-2-oxoethyl]azanium
CID 6929476

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[(2S)-1-(1H-indol-3-yl)-3-oxopropan-2-yl]acetamide?
The IUPAC name of 2-(dimethylamino)-N-[(2S)-1-(1H-indol-3-yl)-3-oxopropan-2-yl]acetamide (CID 122692537) is 2-(dimethylamino)-N-[(2S)-1-(1H-indol-3-yl)-3-oxopropan-2-yl]acetamide.
What is the SMILES notation for 2-(dimethylamino)-N-[(2S)-1-(1H-indol-3-yl)-3-oxopropan-2-yl]acetamide?
The canonical SMILES for 2-(dimethylamino)-N-[(2S)-1-(1H-indol-3-yl)-3-oxopropan-2-yl]acetamide is CN(C)CC(=O)N[C@H](C=O)Cc1c[nH]c2ccccc12.
What is the InChIKey of 2-(dimethylamino)-N-[(2S)-1-(1H-indol-3-yl)-3-oxopropan-2-yl]acetamide?
The InChIKey is XIIKZOXODWBCON-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-18(2)9-15(20)17-12(10-19)7-11-8-16-14-6-4-3-5-13(11)14/h3-6,8,10,12,16H,7,9H2,1-2H3,(H,17,20)/t12-/m0/s1.
What are the key properties of 2-(dimethylamino)-N-[(2S)-1-(1H-indol-3-yl)-3-oxopropan-2-yl]acetamide?
2-(dimethylamino)-N-[(2S)-1-(1H-indol-3-yl)-3-oxopropan-2-yl]acetamide has a molecular weight of 273.34 g/mol, XLogP of 0.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[(2S)-1-(1H-indol-3-yl)-3-oxopropan-2-yl]acetamide is sourced from PubChem (CID 122692537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).