2-[1H-indol-3-ylmethyl(methyl)amino]acetamide

C12H15N3O — CID 115259992

IUPAC2-[1H-indol-3-ylmethyl(methyl)amino]acetamide
SMILESCN(CC(N)=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C12H15N3O/c1-15(8-12(13)16)7-9-6-14-11-5-3-2-4-10(9)11/h2-6,14H,7-8H2,1H3,(H2,13,16)
InChIKeyMOZXDIZSHAANNE-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.09
Rot. Bonds4

About 2-[1H-indol-3-ylmethyl(methyl)amino]acetamide

2-[1H-indol-3-ylmethyl(methyl)amino]acetamide (PubChem CID 115259992) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-[1H-indol-3-ylmethyl(methyl)amino]acetamide.

Molecular Properties

Compound Name2-[1H-indol-3-ylmethyl(methyl)amino]acetamide
PubChem CID115259992
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name2-[1H-indol-3-ylmethyl(methyl)amino]acetamide
SMILESCN(CC(N)=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C12H15N3O/c1-15(8-12(13)16)7-9-6-14-11-5-3-2-4-10(9)11/h2-6,14H,7-8H2,1H3,(H2,13,16)
InChIKeyMOZXDIZSHAANNE-UHFFFAOYSA-N
XLogP1.09
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(1H-indol-3-ylmethyl)-N'-methyloxamide
CID 115191974
N-(1H-indol-3-ylmethyl)-N-methylpropan-1-amine
CID 142231865
3-[1H-indol-3-ylmethyl(methyl)amino]-2-methylpropanoic acid
CID 65067496
5-[1H-indol-3-ylmethyl(methyl)amino]pentanoic acid
CID 115219091
(E)-4-[1H-indol-3-ylmethyl(methyl)amino]but-2-enoic acid
CID 115237209
1-amino-N-(1H-indol-3-ylmethyl)-N-methylcyclopropane-1-carboxamide
CID 115189880
N-(2-amino-2-oxoethyl)-3-(1H-indol-3-yl)-N-propan-2-ylpropanamide
CID 43397899
4-(1H-indol-3-yl)butanamide
CID 588715
N'-(1H-indol-3-ylmethyl)-N'-methyl-N-propan-2-ylethane-1,2-diamine
CID 113409137
N-carbamoyl-3-(1H-indol-3-yl)-N-methylpropanamide
CID 123961243
methyl 2-[1H-indol-3-ylmethyl(methyl)amino]-2-oxoacetate
CID 115142476
[2-(1H-indol-3-yl)ethyl-methylamino]methanol
CID 115229481

Frequently Asked Questions

What is the IUPAC name of 2-[1H-indol-3-ylmethyl(methyl)amino]acetamide?
The IUPAC name of 2-[1H-indol-3-ylmethyl(methyl)amino]acetamide (CID 115259992) is 2-[1H-indol-3-ylmethyl(methyl)amino]acetamide.
What is the SMILES notation for 2-[1H-indol-3-ylmethyl(methyl)amino]acetamide?
The canonical SMILES for 2-[1H-indol-3-ylmethyl(methyl)amino]acetamide is CN(CC(N)=O)Cc1c[nH]c2ccccc12.
What is the InChIKey of 2-[1H-indol-3-ylmethyl(methyl)amino]acetamide?
The InChIKey is MOZXDIZSHAANNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-15(8-12(13)16)7-9-6-14-11-5-3-2-4-10(9)11/h2-6,14H,7-8H2,1H3,(H2,13,16).
What are the key properties of 2-[1H-indol-3-ylmethyl(methyl)amino]acetamide?
2-[1H-indol-3-ylmethyl(methyl)amino]acetamide has a molecular weight of 217.27 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1H-indol-3-ylmethyl(methyl)amino]acetamide is sourced from PubChem (CID 115259992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).