2-(1H-indol-3-ylmethylamino)-N-methylacetamide

C12H15N3O — CID 60664269

IUPAC2-(1H-indol-3-ylmethylamino)-N-methylacetamide
SMILESCNC(=O)CNCc1c[nH]c2ccccc12
InChIInChI=1S/C12H15N3O/c1-13-12(16)8-14-6-9-7-15-11-5-3-2-4-10(9)11/h2-5,7,14-15H,6,8H2,1H3,(H,13,16)
InChIKeyCCUCRBMHMQDYLF-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.00
Rot. Bonds4

About 2-(1H-indol-3-ylmethylamino)-N-methylacetamide

2-(1H-indol-3-ylmethylamino)-N-methylacetamide (PubChem CID 60664269) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-(1H-indol-3-ylmethylamino)-N-methylacetamide.

Molecular Properties

Compound Name2-(1H-indol-3-ylmethylamino)-N-methylacetamide
PubChem CID60664269
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name2-(1H-indol-3-ylmethylamino)-N-methylacetamide
SMILESCNC(=O)CNCc1c[nH]c2ccccc12
InChIInChI=1S/C12H15N3O/c1-13-12(16)8-14-6-9-7-15-11-5-3-2-4-10(9)11/h2-5,7,14-15H,6,8H2,1H3,(H,13,16)
InChIKeyCCUCRBMHMQDYLF-UHFFFAOYSA-N
XLogP1.00
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1H-indol-3-ylmethylamino)-N-methylpropanamide
CID 55061964
(1H-indol-3-ylmethylamino)methanol
CID 115228988
2-(1H-indol-3-ylmethylamino)-N-methylpropanamide
CID 61057745
N-hydroxy-2-(1H-indol-3-yl)acetamide
CID 13058633
2-(1H-indol-3-ylmethylamino)propanoic acid
CID 62324113
N-[(2S)-2-hydroxypropyl]-2-(1H-indol-3-yl)acetamide
CID 39248120
3-(1H-indol-3-ylmethylamino)-2,2-dimethylpropanamide
CID 103617257
2-[2-(1H-indol-3-yl)ethylamino]-N-propan-2-ylacetamide
CID 108992856
N,N-diethyl-3-(1H-indol-3-ylmethylamino)propanamide
CID 60961087
N-tert-butyl-2-[2-(1H-indol-3-yl)ethylamino]acetamide
CID 109002301
1-[2-(1H-indol-3-yl)ethylamino]propan-2-one
CID 91330877
2-(2-chlorophenyl)-N-(1H-indol-3-ylmethyl)acetamide
CID 110673257

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-ylmethylamino)-N-methylacetamide?
The IUPAC name of 2-(1H-indol-3-ylmethylamino)-N-methylacetamide (CID 60664269) is 2-(1H-indol-3-ylmethylamino)-N-methylacetamide.
What is the SMILES notation for 2-(1H-indol-3-ylmethylamino)-N-methylacetamide?
The canonical SMILES for 2-(1H-indol-3-ylmethylamino)-N-methylacetamide is CNC(=O)CNCc1c[nH]c2ccccc12.
What is the InChIKey of 2-(1H-indol-3-ylmethylamino)-N-methylacetamide?
The InChIKey is CCUCRBMHMQDYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-13-12(16)8-14-6-9-7-15-11-5-3-2-4-10(9)11/h2-5,7,14-15H,6,8H2,1H3,(H,13,16).
What are the key properties of 2-(1H-indol-3-ylmethylamino)-N-methylacetamide?
2-(1H-indol-3-ylmethylamino)-N-methylacetamide has a molecular weight of 217.27 g/mol, XLogP of 1.00, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-ylmethylamino)-N-methylacetamide is sourced from PubChem (CID 60664269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).