N-[1H-indol-3-yl-(4-methoxyphenyl)methyl]-N-methyl-2-(3-methylphenoxy)acetamide

C26H26N2O3 — CID 43843744

IUPACN-[1H-indol-3-yl-(4-methoxyphenyl)methyl]-N-methyl-2-(3-methylphenoxy)acetamide
SMILESCOc1ccc(C(c2c[nH]c3ccccc23)N(C)C(=O)COc2cccc(C)c2)cc1
InChIInChI=1S/C26H26N2O3/c1-18-7-6-8-21(15-18)31-17-25(29)28(2)26(19-11-13-20(30-3)14-12-19)23-16-27-24-10-5-4-9-22(23)24/h4-16,26-27H,17H2,1-3H3
InChIKeyNOGRAFJMUXMYIA-UHFFFAOYSA-N
MW414.51 g/mol
LogP5.11
Rot. Bonds7

About N-[1H-indol-3-yl-(4-methoxyphenyl)methyl]-N-methyl-2-(3-methylphenoxy)acetamide

N-[1H-indol-3-yl-(4-methoxyphenyl)methyl]-N-methyl-2-(3-methylphenoxy)acetamide (PubChem CID 43843744) has the molecular formula C26H26N2O3 and a molecular weight of 414.51 g/mol. Its IUPAC name is N-[1H-indol-3-yl-(4-methoxyphenyl)methyl]-N-methyl-2-(3-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[1H-indol-3-yl-(4-methoxyphenyl)methyl]-N-methyl-2-(3-methylphenoxy)acetamide
PubChem CID43843744
Molecular FormulaC26H26N2O3
Molecular Weight414.51 g/mol
Exact Mass414.19
IUPAC NameN-[1H-indol-3-yl-(4-methoxyphenyl)methyl]-N-methyl-2-(3-methylphenoxy)acetamide
SMILESCOc1ccc(C(c2c[nH]c3ccccc23)N(C)C(=O)COc2cccc(C)c2)cc1
InChIInChI=1S/C26H26N2O3/c1-18-7-6-8-21(15-18)31-17-25(29)28(2)26(19-11-13-20(30-3)14-12-19)23-16-27-24-10-5-4-9-22(23)24/h4-16,26-27H,17H2,1-3H3
InChIKeyNOGRAFJMUXMYIA-UHFFFAOYSA-N
XLogP5.11
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.51
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-[(R)-1H-indol-3-yl-(4-methoxyphenyl)methyl]-2-(4-methylphenoxy)acetamide
CID 35342667
N-ethyl-N-[(S)-1H-indol-3-yl-(4-methoxyphenyl)methyl]-2-(4-methoxyphenoxy)acetamide
CID 35344394
2-(4-tert-butylphenoxy)-N-[(4-ethylphenyl)-(1H-indol-3-yl)methyl]-N-methylacetamide
CID 51064503
N-benzhydryl-N-methyl-2-(3-methylphenoxy)acetamide
CID 8919009
N-ethyl-N-[(S)-1H-indol-3-yl-(4-methylphenyl)methyl]-2-phenoxyacetamide
CID 35343469
N-ethyl-N-[(R)-1H-indol-3-yl-(4-methoxyphenyl)methyl]-2-(2-methoxyphenoxy)acetamide
CID 35344358
N-ethyl-N-[(S)-1H-indol-3-yl-(4-methylphenyl)methyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 35344444
2-(4-chlorophenoxy)-N-ethyl-N-[(S)-1H-indol-3-yl-(4-methylphenyl)methyl]acetamide
CID 35344435
2-(2,4-dichlorophenoxy)-N-ethyl-N-[(R)-1H-indol-3-yl-(4-methoxyphenyl)methyl]acetamide
CID 35344494
2-(4-ethylphenoxy)-N-[1H-indol-3-yl(thiophen-2-yl)methyl]-N-methylacetamide
CID 20895193
2-(4-chlorophenoxy)-N-[(S)-1H-indol-3-yl(thiophen-2-yl)methyl]-N-methylacetamide
CID 26821155
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 17014566

Frequently Asked Questions

What is the IUPAC name of N-[1H-indol-3-yl-(4-methoxyphenyl)methyl]-N-methyl-2-(3-methylphenoxy)acetamide?
The IUPAC name of N-[1H-indol-3-yl-(4-methoxyphenyl)methyl]-N-methyl-2-(3-methylphenoxy)acetamide (CID 43843744) is N-[1H-indol-3-yl-(4-methoxyphenyl)methyl]-N-methyl-2-(3-methylphenoxy)acetamide.
What is the SMILES notation for N-[1H-indol-3-yl-(4-methoxyphenyl)methyl]-N-methyl-2-(3-methylphenoxy)acetamide?
The canonical SMILES for N-[1H-indol-3-yl-(4-methoxyphenyl)methyl]-N-methyl-2-(3-methylphenoxy)acetamide is COc1ccc(C(c2c[nH]c3ccccc23)N(C)C(=O)COc2cccc(C)c2)cc1.
What is the InChIKey of N-[1H-indol-3-yl-(4-methoxyphenyl)methyl]-N-methyl-2-(3-methylphenoxy)acetamide?
The InChIKey is NOGRAFJMUXMYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O3/c1-18-7-6-8-21(15-18)31-17-25(29)28(2)26(19-11-13-20(30-3)14-12-19)23-16-27-24-10-5-4-9-22(23)24/h4-16,26-27H,17H2,1-3H3.
What are the key properties of N-[1H-indol-3-yl-(4-methoxyphenyl)methyl]-N-methyl-2-(3-methylphenoxy)acetamide?
N-[1H-indol-3-yl-(4-methoxyphenyl)methyl]-N-methyl-2-(3-methylphenoxy)acetamide has a molecular weight of 414.51 g/mol, XLogP of 5.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1H-indol-3-yl-(4-methoxyphenyl)methyl]-N-methyl-2-(3-methylphenoxy)acetamide is sourced from PubChem (CID 43843744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).