N-(2-aminoethyl)-2-(1-methylindol-3-yl)acetamide

C13H17N3O — CID 82289252

IUPACN-(2-aminoethyl)-2-(1-methylindol-3-yl)acetamide
SMILESCn1cc(CC(=O)NCCN)c2ccccc21
InChIInChI=1S/C13H17N3O/c1-16-9-10(8-13(17)15-7-6-14)11-4-2-3-5-12(11)16/h2-5,9H,6-8,14H2,1H3,(H,15,17)
InChIKeyQMUMDYPMHOUEKW-UHFFFAOYSA-N
MW231.30 g/mol
LogP0.80
Rot. Bonds4

About N-(2-aminoethyl)-2-(1-methylindol-3-yl)acetamide

N-(2-aminoethyl)-2-(1-methylindol-3-yl)acetamide (PubChem CID 82289252) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-(1-methylindol-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-(1-methylindol-3-yl)acetamide
PubChem CID82289252
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC NameN-(2-aminoethyl)-2-(1-methylindol-3-yl)acetamide
SMILESCn1cc(CC(=O)NCCN)c2ccccc21
InChIInChI=1S/C13H17N3O/c1-16-9-10(8-13(17)15-7-6-14)11-4-2-3-5-12(11)16/h2-5,9H,6-8,14H2,1H3,(H,15,17)
InChIKeyQMUMDYPMHOUEKW-UHFFFAOYSA-N
XLogP0.80
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxyethyl)-2-(1-methylindol-3-yl)acetamide
CID 3237946
N-but-3-ynyl-2-(1-methylindol-3-yl)acetamide
CID 90537865
2-amino-N-[2-(1-methylindol-3-yl)ethyl]acetamide
CID 82495529
N-(2-aminopropyl)-2-(1-methylindol-3-yl)acetamide
CID 110832860
2-(1-methylindol-3-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 4523425
N-[(4-fluorophenyl)methyl]-2-(1-methylindol-3-yl)acetamide
CID 3632445
N-[2-(1-methylindol-3-yl)ethyl]-2-phenylacetamide
CID 45069412
2-(2-fluorophenyl)-N-[(1-methylindol-3-yl)methyl]acetamide
CID 110782275
3-amino-2,2-dimethyl-N-[(1-methylindol-3-yl)methyl]propanamide
CID 115154655
3-amino-2-methyl-N-[(1-methylindol-3-yl)methyl]propanamide
CID 115153662
2-(1-methylindol-3-yl)-N-propan-2-ylacetamide
CID 13010552
3-[(1-methylindol-3-yl)methylamino]-N-propylpropanamide
CID 107235569

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-(1-methylindol-3-yl)acetamide?
The IUPAC name of N-(2-aminoethyl)-2-(1-methylindol-3-yl)acetamide (CID 82289252) is N-(2-aminoethyl)-2-(1-methylindol-3-yl)acetamide.
What is the SMILES notation for N-(2-aminoethyl)-2-(1-methylindol-3-yl)acetamide?
The canonical SMILES for N-(2-aminoethyl)-2-(1-methylindol-3-yl)acetamide is Cn1cc(CC(=O)NCCN)c2ccccc21.
What is the InChIKey of N-(2-aminoethyl)-2-(1-methylindol-3-yl)acetamide?
The InChIKey is QMUMDYPMHOUEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-16-9-10(8-13(17)15-7-6-14)11-4-2-3-5-12(11)16/h2-5,9H,6-8,14H2,1H3,(H,15,17).
What are the key properties of N-(2-aminoethyl)-2-(1-methylindol-3-yl)acetamide?
N-(2-aminoethyl)-2-(1-methylindol-3-yl)acetamide has a molecular weight of 231.30 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-(1-methylindol-3-yl)acetamide is sourced from PubChem (CID 82289252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).