4-(1H-indol-3-yl)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbutanamide

C22H26N2O3 — CID 31284992

IUPAC4-(1H-indol-3-yl)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbutanamide
SMILESCOc1ccc(OCCN(C)C(=O)CCCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C22H26N2O3/c1-24(14-15-27-19-12-10-18(26-2)11-13-19)22(25)9-5-6-17-16-23-21-8-4-3-7-20(17)21/h3-4,7-8,10-13,16,23H,5-6,9,14-15H2,1-2H3
InChIKeyCOZBYTZYQPKBPF-UHFFFAOYSA-N
MW366.46 g/mol
LogP4.04
Rot. Bonds9

About 4-(1H-indol-3-yl)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbutanamide

4-(1H-indol-3-yl)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbutanamide (PubChem CID 31284992) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 4-(1H-indol-3-yl)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbutanamide.

Molecular Properties

Compound Name4-(1H-indol-3-yl)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbutanamide
PubChem CID31284992
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name4-(1H-indol-3-yl)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbutanamide
SMILESCOc1ccc(OCCN(C)C(=O)CCCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C22H26N2O3/c1-24(14-15-27-19-12-10-18(26-2)11-13-19)22(25)9-5-6-17-16-23-21-8-4-3-7-20(17)21/h3-4,7-8,10-13,16,23H,5-6,9,14-15H2,1-2H3
InChIKeyCOZBYTZYQPKBPF-UHFFFAOYSA-N
XLogP4.04
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-bromophenoxy)ethyl]-3-(1H-indol-3-yl)-N-methylpropanamide
CID 27811332
5-[2-(1H-indol-3-yl)ethyl-methylamino]-5-oxopentanoic acid
CID 23336462
N-(2-hydroxy-2-methylpropyl)-4-(1H-indol-3-yl)-N-methylbutanamide
CID 79270948
N-[2-(1H-indol-3-yl)ethyl]-N-methyl-2-phenoxyacetamide
CID 110733086
N-(2-hydroxyethyl)-3-(1H-indol-3-yl)-N-methylpropanamide
CID 60652678
N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-(1H-indol-3-yl)propanamide
CID 87006855
2-chloro-N-[2-(1H-indol-3-yl)ethyl]-N-methylacetamide
CID 82087538
N-[2-(4-methoxyphenoxy)ethyl]-3-(4-methoxyphenyl)-N-methylpropanamide
CID 78794099
[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
CID 7659253
N-[2-(1H-indol-3-yl)ethyl]-2-(2-methoxyphenyl)-N-methylacetamide
CID 110733094
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
CID 2475685
3-(1H-indol-3-yl)-N-methyl-N-(2-methylsulfanylethyl)propanamide
CID 112698086

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-3-yl)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbutanamide?
The IUPAC name of 4-(1H-indol-3-yl)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbutanamide (CID 31284992) is 4-(1H-indol-3-yl)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbutanamide.
What is the SMILES notation for 4-(1H-indol-3-yl)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbutanamide?
The canonical SMILES for 4-(1H-indol-3-yl)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbutanamide is COc1ccc(OCCN(C)C(=O)CCCc2c[nH]c3ccccc23)cc1.
What is the InChIKey of 4-(1H-indol-3-yl)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbutanamide?
The InChIKey is COZBYTZYQPKBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-24(14-15-27-19-12-10-18(26-2)11-13-19)22(25)9-5-6-17-16-23-21-8-4-3-7-20(17)21/h3-4,7-8,10-13,16,23H,5-6,9,14-15H2,1-2H3.
What are the key properties of 4-(1H-indol-3-yl)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbutanamide?
4-(1H-indol-3-yl)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbutanamide has a molecular weight of 366.46 g/mol, XLogP of 4.04, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-3-yl)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbutanamide is sourced from PubChem (CID 31284992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).