N-(1H-indol-4-yl)-2-(2-phenylethylamino)acetamide

C18H19N3O — CID 141013500

IUPACN-(1H-indol-4-yl)-2-(2-phenylethylamino)acetamide
SMILESO=C(CNCCc1ccccc1)Nc1cccc2[nH]ccc12
InChIInChI=1S/C18H19N3O/c22-18(13-19-11-9-14-5-2-1-3-6-14)21-17-8-4-7-16-15(17)10-12-20-16/h1-8,10,12,19-20H,9,11,13H2,(H,21,22)
InChIKeyYIUIILBAYLBGBE-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.94
Rot. Bonds6

About N-(1H-indol-4-yl)-2-(2-phenylethylamino)acetamide

N-(1H-indol-4-yl)-2-(2-phenylethylamino)acetamide (PubChem CID 141013500) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is N-(1H-indol-4-yl)-2-(2-phenylethylamino)acetamide.

Molecular Properties

Compound NameN-(1H-indol-4-yl)-2-(2-phenylethylamino)acetamide
PubChem CID141013500
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC NameN-(1H-indol-4-yl)-2-(2-phenylethylamino)acetamide
SMILESO=C(CNCCc1ccccc1)Nc1cccc2[nH]ccc12
InChIInChI=1S/C18H19N3O/c22-18(13-19-11-9-14-5-2-1-3-6-14)21-17-8-4-7-16-15(17)10-12-20-16/h1-8,10,12,19-20H,9,11,13H2,(H,21,22)
InChIKeyYIUIILBAYLBGBE-UHFFFAOYSA-N
XLogP2.94
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.94
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-amino-N-(1H-indol-4-yl)acetamide
CID 110470011
2-(1H-indol-3-yl)-N-(1H-indol-4-yl)acetamide
CID 110745009
2-(1H-indol-4-yloxy)-N-(2-phenylethyl)acetamide
CID 42506850
ethyl 2-[[2-(2-phenylethylamino)acetyl]amino]benzoate
CID 108999964
2-(4-aminophenyl)-N-(1H-indol-4-yl)acetamide
CID 110472744
2-[2-(1H-indol-3-yl)ethylamino]-N-(2-phenylethyl)acetamide
CID 108999978
N-(1H-indol-4-yl)-4-(methylamino)butanamide;hydrochloride
CID 119706198
N-benzyl-2-(2-phenylethylamino)acetamide
CID 28829660
1-benzyl-N-(1H-indol-4-yl)-2-oxopyridine-3-carboxamide
CID 71934158
N-naphthalen-1-yl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
CID 4852522
N-(2-hydroxyphenyl)-2-(1H-indol-4-yl)acetamide
CID 139642119
N-(1H-indol-4-yl)-2-methyl-2-phenylpropanamide
CID 110473243

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-4-yl)-2-(2-phenylethylamino)acetamide?
The IUPAC name of N-(1H-indol-4-yl)-2-(2-phenylethylamino)acetamide (CID 141013500) is N-(1H-indol-4-yl)-2-(2-phenylethylamino)acetamide.
What is the SMILES notation for N-(1H-indol-4-yl)-2-(2-phenylethylamino)acetamide?
The canonical SMILES for N-(1H-indol-4-yl)-2-(2-phenylethylamino)acetamide is O=C(CNCCc1ccccc1)Nc1cccc2[nH]ccc12.
What is the InChIKey of N-(1H-indol-4-yl)-2-(2-phenylethylamino)acetamide?
The InChIKey is YIUIILBAYLBGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c22-18(13-19-11-9-14-5-2-1-3-6-14)21-17-8-4-7-16-15(17)10-12-20-16/h1-8,10,12,19-20H,9,11,13H2,(H,21,22).
What are the key properties of N-(1H-indol-4-yl)-2-(2-phenylethylamino)acetamide?
N-(1H-indol-4-yl)-2-(2-phenylethylamino)acetamide has a molecular weight of 293.37 g/mol, XLogP of 2.94, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-4-yl)-2-(2-phenylethylamino)acetamide is sourced from PubChem (CID 141013500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).