N-[1-(1H-indol-3-yl)ethyl]-N-methylacetamide

C13H16N2O — CID 50916095

IUPACN-[1-(1H-indol-3-yl)ethyl]-N-methylacetamide
SMILESCC(=O)N(C)C(C)c1c[nH]c2ccccc12
InChIInChI=1S/C13H16N2O/c1-9(15(3)10(2)16)12-8-14-13-7-5-4-6-11(12)13/h4-9,14H,1-3H3
InChIKeyLDFUATABRXWUPP-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.71
Rot. Bonds2

About N-[1-(1H-indol-3-yl)ethyl]-N-methylacetamide

N-[1-(1H-indol-3-yl)ethyl]-N-methylacetamide (PubChem CID 50916095) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is N-[1-(1H-indol-3-yl)ethyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[1-(1H-indol-3-yl)ethyl]-N-methylacetamide
PubChem CID50916095
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC NameN-[1-(1H-indol-3-yl)ethyl]-N-methylacetamide
SMILESCC(=O)N(C)C(C)c1c[nH]c2ccccc12
InChIInChI=1S/C13H16N2O/c1-9(15(3)10(2)16)12-8-14-13-7-5-4-6-11(12)13/h4-9,14H,1-3H3
InChIKeyLDFUATABRXWUPP-UHFFFAOYSA-N
XLogP2.71
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(1H-indol-3-yl)-N',N'-dimethylpropanehydrazide
CID 116848099
3-propan-2-yl-1H-indole
CID 12534824
(3R)-3-(1H-indol-3-yl)-2-oxobutanoic acid
CID 118796912
(E)-3-(6-amino-3-pyridinyl)-N-[1-(1H-indol-3-yl)ethyl]-N-methylprop-2-enamide
CID 22593705
2-(1H-indol-3-yl)-3-methylbutanedioic acid
CID 57149405
2-(1H-indol-3-yl)-N,N-dimethylbutanamide
CID 166107005
4-(dimethylamino)-4-(1H-indol-3-yl)-2-methylbutanoic acid
CID 116908267
(2S,3S)-3-(1H-indol-3-yl)butan-2-ol
CID 130705083
2-(1H-indol-3-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide
CID 46591974
2-(1H-indol-3-yl)-4-methylpentanoic acid
CID 83644825
N-[1-(1H-indol-3-yl)-2-oxopropyl]-2-methylpropanamide
CID 144559004
1-(1H-indol-3-yl)-N',N'-dimethylmethanediamine
CID 116909089

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-indol-3-yl)ethyl]-N-methylacetamide?
The IUPAC name of N-[1-(1H-indol-3-yl)ethyl]-N-methylacetamide (CID 50916095) is N-[1-(1H-indol-3-yl)ethyl]-N-methylacetamide.
What is the SMILES notation for N-[1-(1H-indol-3-yl)ethyl]-N-methylacetamide?
The canonical SMILES for N-[1-(1H-indol-3-yl)ethyl]-N-methylacetamide is CC(=O)N(C)C(C)c1c[nH]c2ccccc12.
What is the InChIKey of N-[1-(1H-indol-3-yl)ethyl]-N-methylacetamide?
The InChIKey is LDFUATABRXWUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-9(15(3)10(2)16)12-8-14-13-7-5-4-6-11(12)13/h4-9,14H,1-3H3.
What are the key properties of N-[1-(1H-indol-3-yl)ethyl]-N-methylacetamide?
N-[1-(1H-indol-3-yl)ethyl]-N-methylacetamide has a molecular weight of 216.28 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-indol-3-yl)ethyl]-N-methylacetamide is sourced from PubChem (CID 50916095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).