N-ethyl-N-[(S)-1H-indol-3-yl-(4-methylphenyl)methyl]-2-phenoxyacetamide

C26H26N2O2 — CID 35343469

IUPACN-ethyl-N-[(S)-1H-indol-3-yl-(4-methylphenyl)methyl]-2-phenoxyacetamide
SMILESCCN(C(=O)COc1ccccc1)[C@@H](c1ccc(C)cc1)c1c[nH]c2ccccc12
InChIInChI=1S/C26H26N2O2/c1-3-28(25(29)18-30-21-9-5-4-6-10-21)26(20-15-13-19(2)14-16-20)23-17-27-24-12-8-7-11-22(23)24/h4-17,26-27H,3,18H2,1-2H3/t26-/m0/s1
InChIKeySJUGCFADYMZUAU-SANMLTNESA-N
MW398.51 g/mol
LogP5.49
Rot. Bonds7

About N-ethyl-N-[(S)-1H-indol-3-yl-(4-methylphenyl)methyl]-2-phenoxyacetamide

N-ethyl-N-[(S)-1H-indol-3-yl-(4-methylphenyl)methyl]-2-phenoxyacetamide (PubChem CID 35343469) has the molecular formula C26H26N2O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is N-ethyl-N-[(S)-1H-indol-3-yl-(4-methylphenyl)methyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-ethyl-N-[(S)-1H-indol-3-yl-(4-methylphenyl)methyl]-2-phenoxyacetamide
PubChem CID35343469
Molecular FormulaC26H26N2O2
Molecular Weight398.51 g/mol
Exact Mass398.20
IUPAC NameN-ethyl-N-[(S)-1H-indol-3-yl-(4-methylphenyl)methyl]-2-phenoxyacetamide
SMILESCCN(C(=O)COc1ccccc1)[C@@H](c1ccc(C)cc1)c1c[nH]c2ccccc12
InChIInChI=1S/C26H26N2O2/c1-3-28(25(29)18-30-21-9-5-4-6-10-21)26(20-15-13-19(2)14-16-20)23-17-27-24-12-8-7-11-22(23)24/h4-17,26-27H,3,18H2,1-2H3/t26-/m0/s1
InChIKeySJUGCFADYMZUAU-SANMLTNESA-N
XLogP5.49
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.51
LogP ≤ 55.49
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-(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-[(S)-1H-indol-3-yl-(4-methoxyphenyl)methyl]-2-(4-methoxyphenoxy)acetamide
CID 35344394
2-(2,3-dimethylphenoxy)-N-ethyl-N-[1H-indol-3-yl-(4-methylphenyl)methyl]acetamide
CID 43843372
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]-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-(4-tert-butylphenoxy)-N-[(4-ethylphenyl)-(1H-indol-3-yl)methyl]-N-methylacetamide
CID 51064503
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 17014566
2-(4-ethylphenoxy)-N-[1H-indol-3-yl(thiophen-2-yl)methyl]-N-methylacetamide
CID 20895193

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(S)-1H-indol-3-yl-(4-methylphenyl)methyl]-2-phenoxyacetamide?
The IUPAC name of N-ethyl-N-[(S)-1H-indol-3-yl-(4-methylphenyl)methyl]-2-phenoxyacetamide (CID 35343469) is N-ethyl-N-[(S)-1H-indol-3-yl-(4-methylphenyl)methyl]-2-phenoxyacetamide.
What is the SMILES notation for N-ethyl-N-[(S)-1H-indol-3-yl-(4-methylphenyl)methyl]-2-phenoxyacetamide?
The canonical SMILES for N-ethyl-N-[(S)-1H-indol-3-yl-(4-methylphenyl)methyl]-2-phenoxyacetamide is CCN(C(=O)COc1ccccc1)[C@@H](c1ccc(C)cc1)c1c[nH]c2ccccc12.
What is the InChIKey of N-ethyl-N-[(S)-1H-indol-3-yl-(4-methylphenyl)methyl]-2-phenoxyacetamide?
The InChIKey is SJUGCFADYMZUAU-SANMLTNESA-N. The full InChI is InChI=1S/C26H26N2O2/c1-3-28(25(29)18-30-21-9-5-4-6-10-21)26(20-15-13-19(2)14-16-20)23-17-27-24-12-8-7-11-22(23)24/h4-17,26-27H,3,18H2,1-2H3/t26-/m0/s1.
What are the key properties of N-ethyl-N-[(S)-1H-indol-3-yl-(4-methylphenyl)methyl]-2-phenoxyacetamide?
N-ethyl-N-[(S)-1H-indol-3-yl-(4-methylphenyl)methyl]-2-phenoxyacetamide has a molecular weight of 398.51 g/mol, XLogP of 5.49, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(S)-1H-indol-3-yl-(4-methylphenyl)methyl]-2-phenoxyacetamide is sourced from PubChem (CID 35343469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).