2-(3-butanoylindol-1-yl)-N-(2-phenylethyl)acetamide

C22H24N2O2 — CID 4655442

IUPAC2-(3-butanoylindol-1-yl)-N-(2-phenylethyl)acetamide
SMILESCCCC(=O)c1cn(CC(=O)NCCc2ccccc2)c2ccccc12
InChIInChI=1S/C22H24N2O2/c1-2-8-21(25)19-15-24(20-12-7-6-11-18(19)20)16-22(26)23-14-13-17-9-4-3-5-10-17/h3-7,9-12,15H,2,8,13-14,16H2,1H3,(H,23,26)
InChIKeyFREXBJGSEUDIRD-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.98
Rot. Bonds8

About 2-(3-butanoylindol-1-yl)-N-(2-phenylethyl)acetamide

2-(3-butanoylindol-1-yl)-N-(2-phenylethyl)acetamide (PubChem CID 4655442) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-(3-butanoylindol-1-yl)-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(3-butanoylindol-1-yl)-N-(2-phenylethyl)acetamide
PubChem CID4655442
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name2-(3-butanoylindol-1-yl)-N-(2-phenylethyl)acetamide
SMILESCCCC(=O)c1cn(CC(=O)NCCc2ccccc2)c2ccccc12
InChIInChI=1S/C22H24N2O2/c1-2-8-21(25)19-15-24(20-12-7-6-11-18(19)20)16-22(26)23-14-13-17-9-4-3-5-10-17/h3-7,9-12,15H,2,8,13-14,16H2,1H3,(H,23,26)
InChIKeyFREXBJGSEUDIRD-UHFFFAOYSA-N
XLogP3.98
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-2-oxo-2-[1-[2-oxo-2-(2-phenylethylamino)ethyl]indol-3-yl]acetamide
CID 5298767
N-(2-phenylethyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide
CID 1298670
2-(3-acetylindol-1-yl)-N-propylacetamide
CID 117098452
2-(3-cyanoindol-1-yl)-N-(2-phenylethyl)acetamide
CID 46858702
2-(3-benzylsulfonylindol-1-yl)-N-propylacetamide
CID 30558630
ethyl 2-(3-butanoylindol-1-yl)acetate
CID 4517747
methyl 1-[2-(2-naphthalen-2-ylethylamino)-2-oxoethyl]indole-3-carboxylate
CID 35028911
6-[[2-(3-acetylindol-1-yl)acetyl]amino]hexanoic acid
CID 45492699
1-benzyl-N-propylindole-3-carboxamide
CID 24654500
5-oxo-N-(2-phenylethyl)octanamide
CID 90063979
2-(3-cyanoindol-1-yl)-N-propylacetamide
CID 46858778
N-(2-phenylethyl)butanamide;sulfuryl dichloride
CID 163813551

Frequently Asked Questions

What is the IUPAC name of 2-(3-butanoylindol-1-yl)-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-(3-butanoylindol-1-yl)-N-(2-phenylethyl)acetamide (CID 4655442) is 2-(3-butanoylindol-1-yl)-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-(3-butanoylindol-1-yl)-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-(3-butanoylindol-1-yl)-N-(2-phenylethyl)acetamide is CCCC(=O)c1cn(CC(=O)NCCc2ccccc2)c2ccccc12.
What is the InChIKey of 2-(3-butanoylindol-1-yl)-N-(2-phenylethyl)acetamide?
The InChIKey is FREXBJGSEUDIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-2-8-21(25)19-15-24(20-12-7-6-11-18(19)20)16-22(26)23-14-13-17-9-4-3-5-10-17/h3-7,9-12,15H,2,8,13-14,16H2,1H3,(H,23,26).
What are the key properties of 2-(3-butanoylindol-1-yl)-N-(2-phenylethyl)acetamide?
2-(3-butanoylindol-1-yl)-N-(2-phenylethyl)acetamide has a molecular weight of 348.45 g/mol, XLogP of 3.98, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butanoylindol-1-yl)-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 4655442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).