(2S)-2-hydroxy-3-(1H-indol-3-yl)-N-methoxy-N-methylpropanamide

C13H16N2O3 — CID 16719604

IUPAC(2S)-2-hydroxy-3-(1H-indol-3-yl)-N-methoxy-N-methylpropanamide
SMILESCON(C)C(=O)[C@@H](O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C13H16N2O3/c1-15(18-2)13(17)12(16)7-9-8-14-11-6-4-3-5-10(9)11/h3-6,8,12,14,16H,7H2,1-2H3/t12-/m0/s1
InChIKeyKWVNXIJFJSWSAO-LBPRGKRZSA-N
MW248.28 g/mol
LogP1.09
Rot. Bonds4

About (2S)-2-hydroxy-3-(1H-indol-3-yl)-N-methoxy-N-methylpropanamide

(2S)-2-hydroxy-3-(1H-indol-3-yl)-N-methoxy-N-methylpropanamide (PubChem CID 16719604) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is (2S)-2-hydroxy-3-(1H-indol-3-yl)-N-methoxy-N-methylpropanamide.

Molecular Properties

Compound Name(2S)-2-hydroxy-3-(1H-indol-3-yl)-N-methoxy-N-methylpropanamide
PubChem CID16719604
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name(2S)-2-hydroxy-3-(1H-indol-3-yl)-N-methoxy-N-methylpropanamide
SMILESCON(C)C(=O)[C@@H](O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C13H16N2O3/c1-15(18-2)13(17)12(16)7-9-8-14-11-6-4-3-5-10(9)11/h3-6,8,12,14,16H,7H2,1-2H3/t12-/m0/s1
InChIKeyKWVNXIJFJSWSAO-LBPRGKRZSA-N
XLogP1.09
TPSA65.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(1H-indol-3-yl)-2-methoxy-N,N-dimethylpropanamide
CID 163055572
(2S)-2-hydroxy-3-(1H-indol-3-yl)propanoate
CID 6920148
[(2S)-1-(dimethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]azanium chloride
CID 10516015
(2S)-2-hydroxy-1-(1H-indol-3-yl)-4-methylhexan-3-one
CID 177454435
(2S)-2-[amino(methoxy)amino]-3-(1H-indol-3-yl)propanoic acid
CID 88542339
methyl 2-bromo-3-(1H-indol-3-yl)propanoate
CID 82627645
2-(1H-indol-3-yl)ethane-1,1-diol
CID 21400411
ethane;methyl 3-(1H-indol-3-yl)-2-methylpropanoate
CID 169189360
[3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]azanium chloride
CID 2737346
N-(2,2-dimethoxyethyl)-3-(1H-indol-3-yl)-N-methyl-2-(methylamino)propanamide
CID 102597293
(2R)-2-[ethyl(methyl)amino]-3-(1H-indol-3-yl)propanoic acid
CID 175558503
methyl (2S)-3-(1H-indol-3-yl)-2-(methylamino)propanoate
CID 10988127

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-3-(1H-indol-3-yl)-N-methoxy-N-methylpropanamide?
The IUPAC name of (2S)-2-hydroxy-3-(1H-indol-3-yl)-N-methoxy-N-methylpropanamide (CID 16719604) is (2S)-2-hydroxy-3-(1H-indol-3-yl)-N-methoxy-N-methylpropanamide.
What is the SMILES notation for (2S)-2-hydroxy-3-(1H-indol-3-yl)-N-methoxy-N-methylpropanamide?
The canonical SMILES for (2S)-2-hydroxy-3-(1H-indol-3-yl)-N-methoxy-N-methylpropanamide is CON(C)C(=O)[C@@H](O)Cc1c[nH]c2ccccc12.
What is the InChIKey of (2S)-2-hydroxy-3-(1H-indol-3-yl)-N-methoxy-N-methylpropanamide?
The InChIKey is KWVNXIJFJSWSAO-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-15(18-2)13(17)12(16)7-9-8-14-11-6-4-3-5-10(9)11/h3-6,8,12,14,16H,7H2,1-2H3/t12-/m0/s1.
What are the key properties of (2S)-2-hydroxy-3-(1H-indol-3-yl)-N-methoxy-N-methylpropanamide?
(2S)-2-hydroxy-3-(1H-indol-3-yl)-N-methoxy-N-methylpropanamide has a molecular weight of 248.28 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-3-(1H-indol-3-yl)-N-methoxy-N-methylpropanamide is sourced from PubChem (CID 16719604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).