N-[(5-methoxy-1H-indol-3-yl)methyl]acetamide

C12H14N2O2 — CID 71554009

IUPACN-[(5-methoxy-1H-indol-3-yl)methyl]acetamide
SMILESCOc1ccc2[nH]cc(CNC(C)=O)c2c1
InChIInChI=1S/C12H14N2O2/c1-8(15)13-6-9-7-14-12-4-3-10(16-2)5-11(9)12/h3-5,7,14H,6H2,1-2H3,(H,13,15)
InChIKeyGOPOVGLGTIBIMN-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.81
Rot. Bonds3

About N-[(5-methoxy-1H-indol-3-yl)methyl]acetamide

N-[(5-methoxy-1H-indol-3-yl)methyl]acetamide (PubChem CID 71554009) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is N-[(5-methoxy-1H-indol-3-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(5-methoxy-1H-indol-3-yl)methyl]acetamide
PubChem CID71554009
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC NameN-[(5-methoxy-1H-indol-3-yl)methyl]acetamide
SMILESCOc1ccc2[nH]cc(CNC(C)=O)c2c1
InChIInChI=1S/C12H14N2O2/c1-8(15)13-6-9-7-14-12-4-3-10(16-2)5-11(9)12/h3-5,7,14H,6H2,1-2H3,(H,13,15)
InChIKeyGOPOVGLGTIBIMN-UHFFFAOYSA-N
XLogP1.81
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

potassium;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide;hydroxide
CID 174776187
2-(5-methoxy-1H-indol-3-yl)-N-[(2-methylphenyl)methyl]acetamide
CID 113209591
2-(5-methoxy-1H-indol-3-yl)-N-propan-2-ylacetamide
CID 110847876
N-(2-hydroxypropyl)-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 78872247
2-[(5-methoxy-1H-indol-3-yl)methylamino]ethanol
CID 53274319
4-methoxy-N-[(5-methoxy-1H-indol-3-yl)methyl]aniline
CID 20509727
N-(3-hydroxybutyl)-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 111433362
[(2S)-1-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl] acetate
CID 51852107
3-(2-aminoethyl)-1H-indol-5-ol;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 69014970
(2S)-2-acetamido-N-ethyl-3-(5-methoxy-1H-indol-3-yl)propanamide
CID 102169963
N-ethylaniline;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 130246864
methyl 3-(5-methoxy-1H-indol-3-yl)-2,2-dimethylpropanoate
CID 58843105

Frequently Asked Questions

What is the IUPAC name of N-[(5-methoxy-1H-indol-3-yl)methyl]acetamide?
The IUPAC name of N-[(5-methoxy-1H-indol-3-yl)methyl]acetamide (CID 71554009) is N-[(5-methoxy-1H-indol-3-yl)methyl]acetamide.
What is the SMILES notation for N-[(5-methoxy-1H-indol-3-yl)methyl]acetamide?
The canonical SMILES for N-[(5-methoxy-1H-indol-3-yl)methyl]acetamide is COc1ccc2[nH]cc(CNC(C)=O)c2c1.
What is the InChIKey of N-[(5-methoxy-1H-indol-3-yl)methyl]acetamide?
The InChIKey is GOPOVGLGTIBIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-8(15)13-6-9-7-14-12-4-3-10(16-2)5-11(9)12/h3-5,7,14H,6H2,1-2H3,(H,13,15).
What are the key properties of N-[(5-methoxy-1H-indol-3-yl)methyl]acetamide?
N-[(5-methoxy-1H-indol-3-yl)methyl]acetamide has a molecular weight of 218.26 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methoxy-1H-indol-3-yl)methyl]acetamide is sourced from PubChem (CID 71554009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).