ethane;3-(1H-indol-3-yl)-N-methyl-2-(methylamino)propanamide

C15H23N3O — CID 144733138

IUPACethane;3-(1H-indol-3-yl)-N-methyl-2-(methylamino)propanamide
SMILESCC.CNC(=O)C(Cc1c[nH]c2ccccc12)NC
InChIInChI=1S/C13H17N3O.C2H6/c1-14-12(13(17)15-2)7-9-8-16-11-6-4-3-5-10(9)11;1-2/h3-6,8,12,14,16H,7H2,1-2H3,(H,15,17);1-2H3
InChIKeyRAFRRQVEJQHJFY-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.07
Rot. Bonds4

About ethane;3-(1H-indol-3-yl)-N-methyl-2-(methylamino)propanamide

ethane;3-(1H-indol-3-yl)-N-methyl-2-(methylamino)propanamide (PubChem CID 144733138) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is ethane;3-(1H-indol-3-yl)-N-methyl-2-(methylamino)propanamide.

Molecular Properties

Compound Nameethane;3-(1H-indol-3-yl)-N-methyl-2-(methylamino)propanamide
PubChem CID144733138
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Nameethane;3-(1H-indol-3-yl)-N-methyl-2-(methylamino)propanamide
SMILESCC.CNC(=O)C(Cc1c[nH]c2ccccc12)NC
InChIInChI=1S/C13H17N3O.C2H6/c1-14-12(13(17)15-2)7-9-8-16-11-6-4-3-5-10(9)11;1-2/h3-6,8,12,14,16H,7H2,1-2H3,(H,15,17);1-2H3
InChIKeyRAFRRQVEJQHJFY-UHFFFAOYSA-N
XLogP2.07
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-3-(1H-indol-3-yl)-2-(methylamino)propanoic acid
CID 159251038
methyl (2S)-3-(1H-indol-3-yl)-2-(methylamino)propanoate
CID 10988127
methyl 3-(1H-indol-3-yl)-2-[[3-(1H-indol-3-yl)-2-(methylamino)propanoyl]amino]propanoate
CID 166966040
benzyl N-[(2R)-3-(1H-indol-3-yl)-1-(methylamino)-1-oxopropan-2-yl]carbamate
CID 40987693
2-azido-3-(1H-indol-3-yl)-N-methylpropanamide
CID 166796115
1H-indole;3-(1H-indol-3-yl)-2-(methylamino)propanoic acid
CID 174381341
[(2R)-2-[[(2S)-3-(1H-indol-3-yl)-1-(methylamino)-1-oxopropan-2-yl]carbamoyl]-4-methylpentyl]carbamic acid
CID 70184861
3-(1H-indol-3-yl)-2-(2-methylpropanoylamino)propanoic acid
CID 582733
5-[[1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-2-(methylamino)-5-oxopentanoic acid
CID 85064207
trans-(1R,2R)-2-[[(2S)-3-(1H-indol-3-yl)-1-(methylamino)-1-oxopropan-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 18661254
ethane;methyl 3-(1H-indol-3-yl)-2-methylpropanoate
CID 169189360
2-acetamido-3-(1H-indol-3-yl)-N-phenylpropanamide
CID 46449928

Frequently Asked Questions

What is the IUPAC name of ethane;3-(1H-indol-3-yl)-N-methyl-2-(methylamino)propanamide?
The IUPAC name of ethane;3-(1H-indol-3-yl)-N-methyl-2-(methylamino)propanamide (CID 144733138) is ethane;3-(1H-indol-3-yl)-N-methyl-2-(methylamino)propanamide.
What is the SMILES notation for ethane;3-(1H-indol-3-yl)-N-methyl-2-(methylamino)propanamide?
The canonical SMILES for ethane;3-(1H-indol-3-yl)-N-methyl-2-(methylamino)propanamide is CC.CNC(=O)C(Cc1c[nH]c2ccccc12)NC.
What is the InChIKey of ethane;3-(1H-indol-3-yl)-N-methyl-2-(methylamino)propanamide?
The InChIKey is RAFRRQVEJQHJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O.C2H6/c1-14-12(13(17)15-2)7-9-8-16-11-6-4-3-5-10(9)11;1-2/h3-6,8,12,14,16H,7H2,1-2H3,(H,15,17);1-2H3.
What are the key properties of ethane;3-(1H-indol-3-yl)-N-methyl-2-(methylamino)propanamide?
ethane;3-(1H-indol-3-yl)-N-methyl-2-(methylamino)propanamide has a molecular weight of 261.37 g/mol, XLogP of 2.07, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(1H-indol-3-yl)-N-methyl-2-(methylamino)propanamide is sourced from PubChem (CID 144733138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).