3-(1H-indol-5-ylmethylamino)-N-(2-methoxyethyl)propanamide

C15H21N3O2 — CID 102911835

IUPAC3-(1H-indol-5-ylmethylamino)-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCNCc1ccc2[nH]ccc2c1
InChIInChI=1S/C15H21N3O2/c1-20-9-8-18-15(19)5-6-16-11-12-2-3-14-13(10-12)4-7-17-14/h2-4,7,10,16-17H,5-6,8-9,11H2,1H3,(H,18,19)
InChIKeyZAUKXXHSOPKOQY-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.41
Rot. Bonds8

About 3-(1H-indol-5-ylmethylamino)-N-(2-methoxyethyl)propanamide

3-(1H-indol-5-ylmethylamino)-N-(2-methoxyethyl)propanamide (PubChem CID 102911835) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 3-(1H-indol-5-ylmethylamino)-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name3-(1H-indol-5-ylmethylamino)-N-(2-methoxyethyl)propanamide
PubChem CID102911835
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name3-(1H-indol-5-ylmethylamino)-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCNCc1ccc2[nH]ccc2c1
InChIInChI=1S/C15H21N3O2/c1-20-9-8-18-15(19)5-6-16-11-12-2-3-14-13(10-12)4-7-17-14/h2-4,7,10,16-17H,5-6,8-9,11H2,1H3,(H,18,19)
InChIKeyZAUKXXHSOPKOQY-UHFFFAOYSA-N
XLogP1.41
TPSA66.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(3,4-dimethylphenyl)methylamino]-N-(2-methoxyethyl)propanamide
CID 112686545
3-[(4-ethylphenyl)methylamino]-N-(2-methoxyethyl)propanamide
CID 112686525
3-(1H-indol-6-ylmethylamino)-N-(2-methylpropyl)propanamide
CID 102911831
N-(2-methoxyethyl)-3-(1H-pyrrol-3-ylmethylamino)propanamide
CID 115686119
methyl 4-[(1H-indol-5-ylmethylamino)methyl]benzoate
CID 118070071
N-(1H-indol-5-ylmethyl)-2-propan-2-yloxyethanamine
CID 102911874
N-(2-methoxyethyl)-3-[[3-(trifluoromethyl)phenyl]methylamino]propanamide
CID 115592418
N-(1H-indol-5-ylmethyl)-2-(2-methylpropoxy)ethanamine
CID 102912150
N-(2-methoxyethyl)-3-[(1-methylpyrrol-3-yl)methylamino]propanamide
CID 112547870
ethyl N-(1H-indol-5-ylmethyl)carbamate
CID 59248610
methyl 3-(1H-indole-5-carbonylamino)propanoate
CID 63718794
N-[3-(methylamino)-3-oxopropyl]-1H-indole-5-carboxamide
CID 63718286

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-5-ylmethylamino)-N-(2-methoxyethyl)propanamide?
The IUPAC name of 3-(1H-indol-5-ylmethylamino)-N-(2-methoxyethyl)propanamide (CID 102911835) is 3-(1H-indol-5-ylmethylamino)-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 3-(1H-indol-5-ylmethylamino)-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 3-(1H-indol-5-ylmethylamino)-N-(2-methoxyethyl)propanamide is COCCNC(=O)CCNCc1ccc2[nH]ccc2c1.
What is the InChIKey of 3-(1H-indol-5-ylmethylamino)-N-(2-methoxyethyl)propanamide?
The InChIKey is ZAUKXXHSOPKOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-20-9-8-18-15(19)5-6-16-11-12-2-3-14-13(10-12)4-7-17-14/h2-4,7,10,16-17H,5-6,8-9,11H2,1H3,(H,18,19).
What are the key properties of 3-(1H-indol-5-ylmethylamino)-N-(2-methoxyethyl)propanamide?
3-(1H-indol-5-ylmethylamino)-N-(2-methoxyethyl)propanamide has a molecular weight of 275.35 g/mol, XLogP of 1.41, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-5-ylmethylamino)-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 102911835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).