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

C13H17N3O — CID 61057745

IUPAC2-(1H-indol-3-ylmethylamino)-N-methylpropanamide
SMILESCNC(=O)C(C)NCc1c[nH]c2ccccc12
InChIInChI=1S/C13H17N3O/c1-9(13(17)14-2)15-7-10-8-16-12-6-4-3-5-11(10)12/h3-6,8-9,15-16H,7H2,1-2H3,(H,14,17)
InChIKeyFIYRDAIYEWYQBY-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.39
Rot. Bonds4

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

2-(1H-indol-3-ylmethylamino)-N-methylpropanamide (PubChem CID 61057745) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-(1H-indol-3-ylmethylamino)-N-methylpropanamide.

Molecular Properties

Compound Name2-(1H-indol-3-ylmethylamino)-N-methylpropanamide
PubChem CID61057745
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-(1H-indol-3-ylmethylamino)-N-methylpropanamide
SMILESCNC(=O)C(C)NCc1c[nH]c2ccccc12
InChIInChI=1S/C13H17N3O/c1-9(13(17)14-2)15-7-10-8-16-12-6-4-3-5-11(10)12/h3-6,8-9,15-16H,7H2,1-2H3,(H,14,17)
InChIKeyFIYRDAIYEWYQBY-UHFFFAOYSA-N
XLogP1.39
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1H-indol-3-ylmethylamino)propanoic acid
CID 62324113
2-[3-(1H-indol-3-yl)propanoylamino]-N-methylpropanamide
CID 47315730
2-(1H-indol-3-ylmethylamino)-N-methylacetamide
CID 60664269
(2R)-2-(1H-indol-3-ylmethylamino)propan-1-ol
CID 114985544
1-(1H-indol-3-ylmethylamino)ethanesulfonic acid
CID 177255984
2-(1H-indol-3-ylmethylamino)propanenitrile
CID 115130152
3-(1H-indol-3-ylmethylamino)-N-methylpropanamide
CID 55061964
ethane;3-(1H-indol-3-yl)-N-methyl-2-(methylamino)propanamide
CID 144733138
(2R)-N-(1H-indol-3-ylmethyl)butan-2-amine
CID 92864086
4-(1H-indol-3-ylmethylamino)-3-methyl-4-oxobutanoic acid
CID 115164587
N-[(2S)-2-hydroxypropyl]-2-(1H-indol-3-yl)acetamide
CID 39248120
1-cyclohexyl-N-(1H-indol-3-ylmethyl)ethanamine
CID 62407326

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-ylmethylamino)-N-methylpropanamide?
The IUPAC name of 2-(1H-indol-3-ylmethylamino)-N-methylpropanamide (CID 61057745) is 2-(1H-indol-3-ylmethylamino)-N-methylpropanamide.
What is the SMILES notation for 2-(1H-indol-3-ylmethylamino)-N-methylpropanamide?
The canonical SMILES for 2-(1H-indol-3-ylmethylamino)-N-methylpropanamide is CNC(=O)C(C)NCc1c[nH]c2ccccc12.
What is the InChIKey of 2-(1H-indol-3-ylmethylamino)-N-methylpropanamide?
The InChIKey is FIYRDAIYEWYQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-9(13(17)14-2)15-7-10-8-16-12-6-4-3-5-11(10)12/h3-6,8-9,15-16H,7H2,1-2H3,(H,14,17).
What are the key properties of 2-(1H-indol-3-ylmethylamino)-N-methylpropanamide?
2-(1H-indol-3-ylmethylamino)-N-methylpropanamide has a molecular weight of 231.30 g/mol, XLogP of 1.39, 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-methylpropanamide is sourced from PubChem (CID 61057745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).