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

C13H17N3O — CID 55061964

IUPAC3-(1H-indol-3-ylmethylamino)-N-methylpropanamide
SMILESCNC(=O)CCNCc1c[nH]c2ccccc12
InChIInChI=1S/C13H17N3O/c1-14-13(17)6-7-15-8-10-9-16-12-5-3-2-4-11(10)12/h2-5,9,15-16H,6-8H2,1H3,(H,14,17)
InChIKeyLXWUGBFHYNIXTF-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.39
Rot. Bonds5

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

3-(1H-indol-3-ylmethylamino)-N-methylpropanamide (PubChem CID 55061964) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-(1H-indol-3-ylmethylamino)-N-methylpropanamide.

Molecular Properties

Compound Name3-(1H-indol-3-ylmethylamino)-N-methylpropanamide
PubChem CID55061964
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name3-(1H-indol-3-ylmethylamino)-N-methylpropanamide
SMILESCNC(=O)CCNCc1c[nH]c2ccccc12
InChIInChI=1S/C13H17N3O/c1-14-13(17)6-7-15-8-10-9-16-12-5-3-2-4-11(10)12/h2-5,9,15-16H,6-8H2,1H3,(H,14,17)
InChIKeyLXWUGBFHYNIXTF-UHFFFAOYSA-N
XLogP1.39
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(1H-indol-3-ylmethylamino)-N-methylacetamide
CID 60664269
N,N-diethyl-3-(1H-indol-3-ylmethylamino)propanamide
CID 60961087
2-(1H-indol-3-ylmethylamino)-N-methylpropanamide
CID 61057745
3-[(4-methoxynaphthalen-1-yl)methylamino]-N-methylpropanamide
CID 78998463
(1H-indol-3-ylmethylamino)methanol
CID 115228988
3-[(4-fluorophenyl)methylamino]-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 109021183
N-hydroxy-2-(1H-indol-3-yl)acetamide
CID 13058633
3-chloro-N-(1H-indol-3-ylmethyl)propan-1-amine
CID 115215625
N-[(2S)-2-hydroxypropyl]-2-(1H-indol-3-yl)acetamide
CID 39248120
2-(1H-indol-3-ylmethylamino)propanoic acid
CID 62324113
methyl 3-[[2-(1H-indol-3-yl)acetyl]amino]propanoate
CID 2539049
3-(1H-indol-3-ylmethylamino)-2,2-dimethylpropanamide
CID 103617257

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-ylmethylamino)-N-methylpropanamide?
The IUPAC name of 3-(1H-indol-3-ylmethylamino)-N-methylpropanamide (CID 55061964) is 3-(1H-indol-3-ylmethylamino)-N-methylpropanamide.
What is the SMILES notation for 3-(1H-indol-3-ylmethylamino)-N-methylpropanamide?
The canonical SMILES for 3-(1H-indol-3-ylmethylamino)-N-methylpropanamide is CNC(=O)CCNCc1c[nH]c2ccccc12.
What is the InChIKey of 3-(1H-indol-3-ylmethylamino)-N-methylpropanamide?
The InChIKey is LXWUGBFHYNIXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-14-13(17)6-7-15-8-10-9-16-12-5-3-2-4-11(10)12/h2-5,9,15-16H,6-8H2,1H3,(H,14,17).
What are the key properties of 3-(1H-indol-3-ylmethylamino)-N-methylpropanamide?
3-(1H-indol-3-ylmethylamino)-N-methylpropanamide has a molecular weight of 231.30 g/mol, XLogP of 1.39, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-ylmethylamino)-N-methylpropanamide is sourced from PubChem (CID 55061964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).