2-(2,3-dimethylphenoxy)-N-ethyl-N-[1H-indol-3-yl-(4-methylphenyl)methyl]acetamide

C28H30N2O2 — CID 43843372

IUPAC2-(2,3-dimethylphenoxy)-N-ethyl-N-[1H-indol-3-yl-(4-methylphenyl)methyl]acetamide
SMILESCCN(C(=O)COc1cccc(C)c1C)C(c1ccc(C)cc1)c1c[nH]c2ccccc12
InChIInChI=1S/C28H30N2O2/c1-5-30(27(31)18-32-26-12-8-9-20(3)21(26)4)28(22-15-13-19(2)14-16-22)24-17-29-25-11-7-6-10-23(24)25/h6-17,28-29H,5,18H2,1-4H3
InChIKeyUELFDMOHMWMJAR-UHFFFAOYSA-N
MW426.56 g/mol
LogP6.11
Rot. Bonds7

About 2-(2,3-dimethylphenoxy)-N-ethyl-N-[1H-indol-3-yl-(4-methylphenyl)methyl]acetamide

2-(2,3-dimethylphenoxy)-N-ethyl-N-[1H-indol-3-yl-(4-methylphenyl)methyl]acetamide (PubChem CID 43843372) has the molecular formula C28H30N2O2 and a molecular weight of 426.56 g/mol. Its IUPAC name is 2-(2,3-dimethylphenoxy)-N-ethyl-N-[1H-indol-3-yl-(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2,3-dimethylphenoxy)-N-ethyl-N-[1H-indol-3-yl-(4-methylphenyl)methyl]acetamide
PubChem CID43843372
Molecular FormulaC28H30N2O2
Molecular Weight426.56 g/mol
Exact Mass426.23
IUPAC Name2-(2,3-dimethylphenoxy)-N-ethyl-N-[1H-indol-3-yl-(4-methylphenyl)methyl]acetamide
SMILESCCN(C(=O)COc1cccc(C)c1C)C(c1ccc(C)cc1)c1c[nH]c2ccccc12
InChIInChI=1S/C28H30N2O2/c1-5-30(27(31)18-32-26-12-8-9-20(3)21(26)4)28(22-15-13-19(2)14-16-22)24-17-29-25-11-7-6-10-23(24)25/h6-17,28-29H,5,18H2,1-4H3
InChIKeyUELFDMOHMWMJAR-UHFFFAOYSA-N
XLogP6.11
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.56
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-[(S)-1H-indol-3-yl-(4-methylphenyl)methyl]-2-phenoxyacetamide
CID 35343469
N-ethyl-N-[(S)-1H-indol-3-yl-(4-methylphenyl)methyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 35344444
N-ethyl-N-[(R)-1H-indol-3-yl-(4-methoxyphenyl)methyl]-2-(4-methylphenoxy)acetamide
CID 35342667
2-(4-chlorophenoxy)-N-ethyl-N-[(S)-1H-indol-3-yl-(4-methylphenyl)methyl]acetamide
CID 35344435
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-methoxyphenyl)methyl]-2-(4-methoxyphenoxy)acetamide
CID 35344394
N-ethyl-N-[(S)-1H-indol-3-yl-(4-methylphenyl)methyl]-3,4,5-trimethoxybenzamide
CID 35342946
2-(2,4-dichlorophenoxy)-N-ethyl-N-[(R)-1H-indol-3-yl-(4-methoxyphenyl)methyl]acetamide
CID 35344494
N-[1H-indol-3-yl-(4-methoxyphenyl)methyl]-N-methyl-2-(3-methylphenoxy)acetamide
CID 43843744
2-(2,3-dimethylphenoxy)-N-[1-(4-methylphenyl)ethyl]acetamide
CID 132650068
3-[(2-ethoxyphenyl)-(4-methylphenyl)sulfonylmethyl]-1H-indole
CID 162689482
2-(4-tert-butylphenoxy)-N-[(4-ethylphenyl)-(1H-indol-3-yl)methyl]-N-methylacetamide
CID 51064503

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylphenoxy)-N-ethyl-N-[1H-indol-3-yl-(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-(2,3-dimethylphenoxy)-N-ethyl-N-[1H-indol-3-yl-(4-methylphenyl)methyl]acetamide (CID 43843372) is 2-(2,3-dimethylphenoxy)-N-ethyl-N-[1H-indol-3-yl-(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(2,3-dimethylphenoxy)-N-ethyl-N-[1H-indol-3-yl-(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-(2,3-dimethylphenoxy)-N-ethyl-N-[1H-indol-3-yl-(4-methylphenyl)methyl]acetamide is CCN(C(=O)COc1cccc(C)c1C)C(c1ccc(C)cc1)c1c[nH]c2ccccc12.
What is the InChIKey of 2-(2,3-dimethylphenoxy)-N-ethyl-N-[1H-indol-3-yl-(4-methylphenyl)methyl]acetamide?
The InChIKey is UELFDMOHMWMJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O2/c1-5-30(27(31)18-32-26-12-8-9-20(3)21(26)4)28(22-15-13-19(2)14-16-22)24-17-29-25-11-7-6-10-23(24)25/h6-17,28-29H,5,18H2,1-4H3.
What are the key properties of 2-(2,3-dimethylphenoxy)-N-ethyl-N-[1H-indol-3-yl-(4-methylphenyl)methyl]acetamide?
2-(2,3-dimethylphenoxy)-N-ethyl-N-[1H-indol-3-yl-(4-methylphenyl)methyl]acetamide has a molecular weight of 426.56 g/mol, XLogP of 6.11, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylphenoxy)-N-ethyl-N-[1H-indol-3-yl-(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 43843372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).