3-(5-hydroxy-1H-indol-3-yl)-N,2-dimethylpropanamide

C13H16N2O2 — CID 166672970

IUPAC3-(5-hydroxy-1H-indol-3-yl)-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)Cc1c[nH]c2ccc(O)cc12
InChIInChI=1S/C13H16N2O2/c1-8(13(17)14-2)5-9-7-15-12-4-3-10(16)6-11(9)12/h3-4,6-8,15-16H,5H2,1-2H3,(H,14,17)
InChIKeyXHOUOQFBZSCDTG-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.80
Rot. Bonds3

About 3-(5-hydroxy-1H-indol-3-yl)-N,2-dimethylpropanamide

3-(5-hydroxy-1H-indol-3-yl)-N,2-dimethylpropanamide (PubChem CID 166672970) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 3-(5-hydroxy-1H-indol-3-yl)-N,2-dimethylpropanamide.

Molecular Properties

Compound Name3-(5-hydroxy-1H-indol-3-yl)-N,2-dimethylpropanamide
PubChem CID166672970
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name3-(5-hydroxy-1H-indol-3-yl)-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)Cc1c[nH]c2ccc(O)cc12
InChIInChI=1S/C13H16N2O2/c1-8(13(17)14-2)5-9-7-15-12-4-3-10(16)6-11(9)12/h3-4,6-8,15-16H,5H2,1-2H3,(H,14,17)
InChIKeyXHOUOQFBZSCDTG-UHFFFAOYSA-N
XLogP1.80
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 3-(5-hydroxy-1H-indol-3-yl)-2-methylpropanoate
CID 66819072
ethane;4-(5-hydroxy-1H-indol-3-yl)-3-(methylamino)butan-2-one
CID 145087532
ethane;4-(5-hydroxy-1H-indol-3-yl)-3-(methylamino)butan-2-one
CID 145087627
3-(2,3-dimethylbut-3-enyl)-1H-indol-5-ol
CID 123400921
methyl 3-(5-hydroxy-1H-indol-3-yl)-2-(methylamino)propanoate;hydrochloride
CID 69317062
methyl 2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoate
CID 14288547
2-hydrazinyl-3-(5-hydroxy-1H-indol-3-yl)propanoic acid
CID 11218575
2-amino-N-ethyl-3-(5-hydroxy-1H-indol-3-yl)propanamide
CID 19862462
2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid;methane;2-methylpropane
CID 164563516
3-[(5-hydroxy-1H-indol-3-yl)methyl]-1H-indol-5-ol
CID 15949127
(2S)-2-[[(2S)-2-acetamido-3-(5-hydroxy-1H-indol-3-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
CID 10216569
(2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoyl fluoride
CID 144798694

Frequently Asked Questions

What is the IUPAC name of 3-(5-hydroxy-1H-indol-3-yl)-N,2-dimethylpropanamide?
The IUPAC name of 3-(5-hydroxy-1H-indol-3-yl)-N,2-dimethylpropanamide (CID 166672970) is 3-(5-hydroxy-1H-indol-3-yl)-N,2-dimethylpropanamide.
What is the SMILES notation for 3-(5-hydroxy-1H-indol-3-yl)-N,2-dimethylpropanamide?
The canonical SMILES for 3-(5-hydroxy-1H-indol-3-yl)-N,2-dimethylpropanamide is CNC(=O)C(C)Cc1c[nH]c2ccc(O)cc12.
What is the InChIKey of 3-(5-hydroxy-1H-indol-3-yl)-N,2-dimethylpropanamide?
The InChIKey is XHOUOQFBZSCDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-8(13(17)14-2)5-9-7-15-12-4-3-10(16)6-11(9)12/h3-4,6-8,15-16H,5H2,1-2H3,(H,14,17).
What are the key properties of 3-(5-hydroxy-1H-indol-3-yl)-N,2-dimethylpropanamide?
3-(5-hydroxy-1H-indol-3-yl)-N,2-dimethylpropanamide has a molecular weight of 232.28 g/mol, XLogP of 1.80, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-hydroxy-1H-indol-3-yl)-N,2-dimethylpropanamide is sourced from PubChem (CID 166672970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).