N-(4-butylphenyl)-2-(5-ethoxyindol-1-yl)acetamide

C22H26N2O2 — CID 110830896

IUPACN-(4-butylphenyl)-2-(5-ethoxyindol-1-yl)acetamide
SMILESCCCCc1ccc(NC(=O)Cn2ccc3cc(OCC)ccc32)cc1
InChIInChI=1S/C22H26N2O2/c1-3-5-6-17-7-9-19(10-8-17)23-22(25)16-24-14-13-18-15-20(26-4-2)11-12-21(18)24/h7-15H,3-6,16H2,1-2H3,(H,23,25)
InChIKeyBEVUFQDIMHRDHB-UHFFFAOYSA-N
MW350.46 g/mol
LogP5.02
Rot. Bonds8

About N-(4-butylphenyl)-2-(5-ethoxyindol-1-yl)acetamide

N-(4-butylphenyl)-2-(5-ethoxyindol-1-yl)acetamide (PubChem CID 110830896) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-(4-butylphenyl)-2-(5-ethoxyindol-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-2-(5-ethoxyindol-1-yl)acetamide
PubChem CID110830896
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC NameN-(4-butylphenyl)-2-(5-ethoxyindol-1-yl)acetamide
SMILESCCCCc1ccc(NC(=O)Cn2ccc3cc(OCC)ccc32)cc1
InChIInChI=1S/C22H26N2O2/c1-3-5-6-17-7-9-19(10-8-17)23-22(25)16-24-14-13-18-15-20(26-4-2)11-12-21(18)24/h7-15H,3-6,16H2,1-2H3,(H,23,25)
InChIKeyBEVUFQDIMHRDHB-UHFFFAOYSA-N
XLogP5.02
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.46
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[[2-(5-methoxyindol-1-yl)acetyl]amino]benzoate
CID 29127327
1-(4-butylphenyl)-3-(4-ethoxyphenyl)urea
CID 108874274
N-(cyclopropylmethyl)-2-(5-ethoxyindol-1-yl)acetamide
CID 116624063
ethyl 4-(5-ethoxyindol-1-yl)-3-oxobutanoate
CID 80649255
methyl 4-[[2-(5-methoxyindol-1-yl)acetyl]amino]benzoate
CID 29135985
N-(4-butylphenyl)-2-(7-chloro-4-oxoquinolin-1-yl)acetamide
CID 100739255
1-(4-butylphenyl)-3-[1-[2-(dimethylamino)ethyl]indol-5-yl]urea
CID 91111671
1-(5-ethoxyindol-1-yl)-3-methylpentan-2-one
CID 80643029
2-[5-[[(4-ethoxyphenyl)methyl-methylcarbamoyl]amino]indol-1-yl]-N,N-dimethylacetamide
CID 51130467
2-(5-ethoxyindol-1-yl)-1-(5-methylthiophen-2-yl)ethanone
CID 80649251
[2-(4-butylanilino)-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 2658341
2-(5-methoxyindol-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 29133435

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-2-(5-ethoxyindol-1-yl)acetamide?
The IUPAC name of N-(4-butylphenyl)-2-(5-ethoxyindol-1-yl)acetamide (CID 110830896) is N-(4-butylphenyl)-2-(5-ethoxyindol-1-yl)acetamide.
What is the SMILES notation for N-(4-butylphenyl)-2-(5-ethoxyindol-1-yl)acetamide?
The canonical SMILES for N-(4-butylphenyl)-2-(5-ethoxyindol-1-yl)acetamide is CCCCc1ccc(NC(=O)Cn2ccc3cc(OCC)ccc32)cc1.
What is the InChIKey of N-(4-butylphenyl)-2-(5-ethoxyindol-1-yl)acetamide?
The InChIKey is BEVUFQDIMHRDHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-3-5-6-17-7-9-19(10-8-17)23-22(25)16-24-14-13-18-15-20(26-4-2)11-12-21(18)24/h7-15H,3-6,16H2,1-2H3,(H,23,25).
What are the key properties of N-(4-butylphenyl)-2-(5-ethoxyindol-1-yl)acetamide?
N-(4-butylphenyl)-2-(5-ethoxyindol-1-yl)acetamide has a molecular weight of 350.46 g/mol, XLogP of 5.02, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-2-(5-ethoxyindol-1-yl)acetamide is sourced from PubChem (CID 110830896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).