N-[2-(2-benzyl-1H-indol-3-yl)ethyl]acetamide;N-[2-(1H-indol-3-yl)ethyl]acetamide

C31H34N4O2 — CID 67779850

IUPACN-[2-(2-benzyl-1H-indol-3-yl)ethyl]acetamide;N-[2-(1H-indol-3-yl)ethyl]acetamide
SMILESCC(=O)NCCc1c(Cc2ccccc2)[nH]c2ccccc12.CC(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C19H20N2O.C12H14N2O/c1-14(22)20-12-11-17-16-9-5-6-10-18(16)21-19(17)13-15-7-3-2-4-8-15;1-9(15)13-7-6-10-8-14-12-5-3-2-4-11(10)12/h2-10,21H,11-13H2,1H3,(H,20,22);2-5,8,14H,6-7H2,1H3,(H,13,15)
InChIKeyFQSDMYJSSQCXTB-UHFFFAOYSA-N
MW494.64 g/mol
LogP5.28
Rot. Bonds8

About N-[2-(2-benzyl-1H-indol-3-yl)ethyl]acetamide;N-[2-(1H-indol-3-yl)ethyl]acetamide

N-[2-(2-benzyl-1H-indol-3-yl)ethyl]acetamide;N-[2-(1H-indol-3-yl)ethyl]acetamide (PubChem CID 67779850) has the molecular formula C31H34N4O2 and a molecular weight of 494.64 g/mol. Its IUPAC name is N-[2-(2-benzyl-1H-indol-3-yl)ethyl]acetamide;N-[2-(1H-indol-3-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(2-benzyl-1H-indol-3-yl)ethyl]acetamide;N-[2-(1H-indol-3-yl)ethyl]acetamide
PubChem CID67779850
Molecular FormulaC31H34N4O2
Molecular Weight494.64 g/mol
Exact Mass494.27
IUPAC NameN-[2-(2-benzyl-1H-indol-3-yl)ethyl]acetamide;N-[2-(1H-indol-3-yl)ethyl]acetamide
SMILESCC(=O)NCCc1c(Cc2ccccc2)[nH]c2ccccc12.CC(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C19H20N2O.C12H14N2O/c1-14(22)20-12-11-17-16-9-5-6-10-18(16)21-19(17)13-15-7-3-2-4-8-15;1-9(15)13-7-6-10-8-14-12-5-3-2-4-11(10)12/h2-10,21H,11-13H2,1H3,(H,20,22);2-5,8,14H,6-7H2,1H3,(H,13,15)
InChIKeyFQSDMYJSSQCXTB-UHFFFAOYSA-N
XLogP5.28
TPSA89.78 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.64
LogP ≤ 55.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(1H-indol-3-yl)butyl]acetamide
CID 132534601
N-[2-(2-benzyl-1H-indol-3-yl)ethyl]hexanamide
CID 57340104
2-[2-(1H-indol-3-yl)ethylamino]-N-(2-phenylethyl)acetamide
CID 108999978
4-[2-(1H-indol-3-yl)ethylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103496413
N-[2-(1H-indol-3-yl)ethyl]-N'-propan-2-yloxamide
CID 2026350
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
1-N-[2-(1H-indol-3-yl)ethyl]-2-N-(2-phenylethyl)cyclopropane-1,2-dicarboxamide
CID 109137338
(E)-4-[2-(1H-indol-3-yl)ethylamino]-4-phenylbut-3-en-2-one
CID 11833647
N-benzyl-2-(1H-indol-3-yl)ethanamine;oxalic acid
CID 17367556
1-(2-hydroxyethyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 110894130
1-[2-(1H-indol-3-yl)ethylamino]propan-2-one
CID 91330877

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-benzyl-1H-indol-3-yl)ethyl]acetamide;N-[2-(1H-indol-3-yl)ethyl]acetamide?
The IUPAC name of N-[2-(2-benzyl-1H-indol-3-yl)ethyl]acetamide;N-[2-(1H-indol-3-yl)ethyl]acetamide (CID 67779850) is N-[2-(2-benzyl-1H-indol-3-yl)ethyl]acetamide;N-[2-(1H-indol-3-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(2-benzyl-1H-indol-3-yl)ethyl]acetamide;N-[2-(1H-indol-3-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(2-benzyl-1H-indol-3-yl)ethyl]acetamide;N-[2-(1H-indol-3-yl)ethyl]acetamide is CC(=O)NCCc1c(Cc2ccccc2)[nH]c2ccccc12.CC(=O)NCCc1c[nH]c2ccccc12.
What is the InChIKey of N-[2-(2-benzyl-1H-indol-3-yl)ethyl]acetamide;N-[2-(1H-indol-3-yl)ethyl]acetamide?
The InChIKey is FQSDMYJSSQCXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O.C12H14N2O/c1-14(22)20-12-11-17-16-9-5-6-10-18(16)21-19(17)13-15-7-3-2-4-8-15;1-9(15)13-7-6-10-8-14-12-5-3-2-4-11(10)12/h2-10,21H,11-13H2,1H3,(H,20,22);2-5,8,14H,6-7H2,1H3,(H,13,15).
What are the key properties of N-[2-(2-benzyl-1H-indol-3-yl)ethyl]acetamide;N-[2-(1H-indol-3-yl)ethyl]acetamide?
N-[2-(2-benzyl-1H-indol-3-yl)ethyl]acetamide;N-[2-(1H-indol-3-yl)ethyl]acetamide has a molecular weight of 494.64 g/mol, XLogP of 5.28, 8 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-benzyl-1H-indol-3-yl)ethyl]acetamide;N-[2-(1H-indol-3-yl)ethyl]acetamide is sourced from PubChem (CID 67779850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).