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

C14H18N2O2 — CID 163055572

IUPAC3-(1H-indol-3-yl)-2-methoxy-N,N-dimethylpropanamide
SMILESCOC(Cc1c[nH]c2ccccc12)C(=O)N(C)C
InChIInChI=1S/C14H18N2O2/c1-16(2)14(17)13(18-3)8-10-9-15-12-7-5-4-6-11(10)12/h4-7,9,13,15H,8H2,1-3H3
InChIKeyYGOZAWKQWUALON-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.81
Rot. Bonds4

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

3-(1H-indol-3-yl)-2-methoxy-N,N-dimethylpropanamide (PubChem CID 163055572) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-2-methoxy-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-2-methoxy-N,N-dimethylpropanamide
PubChem CID163055572
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name3-(1H-indol-3-yl)-2-methoxy-N,N-dimethylpropanamide
SMILESCOC(Cc1c[nH]c2ccccc12)C(=O)N(C)C
InChIInChI=1S/C14H18N2O2/c1-16(2)14(17)13(18-3)8-10-9-15-12-7-5-4-6-11(10)12/h4-7,9,13,15H,8H2,1-3H3
InChIKeyYGOZAWKQWUALON-UHFFFAOYSA-N
XLogP1.81
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S)-1-(dimethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]azanium chloride
CID 10516015
(2S)-2-hydroxy-3-(1H-indol-3-yl)-N-methoxy-N-methylpropanamide
CID 16719604
N-(2,2-dimethoxyethyl)-3-(1H-indol-3-yl)-N-methyl-2-(methylamino)propanamide
CID 102597293
methyl 2-bromo-3-(1H-indol-3-yl)propanoate
CID 82627645
[3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]azanium chloride
CID 2737346
ethane;methyl 3-(1H-indol-3-yl)-2-methylpropanoate
CID 169189360
(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
(2S)-2-[amino(methoxy)amino]-3-(1H-indol-3-yl)propanoic acid
CID 88542339
(2S)-2-amino-3-(1H-indol-3-yl)-N,N-di(propan-2-yl)propanamide
CID 59904522
methyl 3-(1H-indol-3-yl)-2-phenylpropanoate
CID 134951107
(2R)-2-amino-N-(2-hydroxyethyl)-3-(1H-indol-3-yl)-N-methylpropanamide
CID 104910812

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-2-methoxy-N,N-dimethylpropanamide?
The IUPAC name of 3-(1H-indol-3-yl)-2-methoxy-N,N-dimethylpropanamide (CID 163055572) is 3-(1H-indol-3-yl)-2-methoxy-N,N-dimethylpropanamide.
What is the SMILES notation for 3-(1H-indol-3-yl)-2-methoxy-N,N-dimethylpropanamide?
The canonical SMILES for 3-(1H-indol-3-yl)-2-methoxy-N,N-dimethylpropanamide is COC(Cc1c[nH]c2ccccc12)C(=O)N(C)C.
What is the InChIKey of 3-(1H-indol-3-yl)-2-methoxy-N,N-dimethylpropanamide?
The InChIKey is YGOZAWKQWUALON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-16(2)14(17)13(18-3)8-10-9-15-12-7-5-4-6-11(10)12/h4-7,9,13,15H,8H2,1-3H3.
What are the key properties of 3-(1H-indol-3-yl)-2-methoxy-N,N-dimethylpropanamide?
3-(1H-indol-3-yl)-2-methoxy-N,N-dimethylpropanamide has a molecular weight of 246.31 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-2-methoxy-N,N-dimethylpropanamide is sourced from PubChem (CID 163055572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).