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

C27H28N2O3 — CID 35342667

IUPACN-ethyl-N-[(R)-1H-indol-3-yl-(4-methoxyphenyl)methyl]-2-(4-methylphenoxy)acetamide
SMILESCCN(C(=O)COc1ccc(C)cc1)[C@H](c1ccc(OC)cc1)c1c[nH]c2ccccc12
InChIInChI=1S/C27H28N2O3/c1-4-29(26(30)18-32-22-13-9-19(2)10-14-22)27(20-11-15-21(31-3)16-12-20)24-17-28-25-8-6-5-7-23(24)25/h5-17,27-28H,4,18H2,1-3H3/t27-/m1/s1
InChIKeyNYFLEFZEKOXQNG-HHHXNRCGSA-N
MW428.53 g/mol
LogP5.50
Rot. Bonds8

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

N-ethyl-N-[(R)-1H-indol-3-yl-(4-methoxyphenyl)methyl]-2-(4-methylphenoxy)acetamide (PubChem CID 35342667) has the molecular formula C27H28N2O3 and a molecular weight of 428.53 g/mol. Its IUPAC name is N-ethyl-N-[(R)-1H-indol-3-yl-(4-methoxyphenyl)methyl]-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-ethyl-N-[(R)-1H-indol-3-yl-(4-methoxyphenyl)methyl]-2-(4-methylphenoxy)acetamide
PubChem CID35342667
Molecular FormulaC27H28N2O3
Molecular Weight428.53 g/mol
Exact Mass428.21
IUPAC NameN-ethyl-N-[(R)-1H-indol-3-yl-(4-methoxyphenyl)methyl]-2-(4-methylphenoxy)acetamide
SMILESCCN(C(=O)COc1ccc(C)cc1)[C@H](c1ccc(OC)cc1)c1c[nH]c2ccccc12
InChIInChI=1S/C27H28N2O3/c1-4-29(26(30)18-32-22-13-9-19(2)10-14-22)27(20-11-15-21(31-3)16-12-20)24-17-28-25-8-6-5-7-23(24)25/h5-17,27-28H,4,18H2,1-3H3/t27-/m1/s1
InChIKeyNYFLEFZEKOXQNG-HHHXNRCGSA-N
XLogP5.50
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.53
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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]-2-phenoxyacetamide
CID 35343469
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
N-ethyl-N-[(R)-1H-indol-3-yl-(4-methoxyphenyl)methyl]-2-(2-methoxyphenoxy)acetamide
CID 35344358
2-(2,3-dimethylphenoxy)-N-ethyl-N-[1H-indol-3-yl-(4-methylphenyl)methyl]acetamide
CID 43843372
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
N-ethyl-N-[(S)-1H-indol-3-yl-(4-methylphenyl)methyl]-3,4,5-trimethoxybenzamide
CID 35342946
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 17014566
2-(4-tert-butylphenoxy)-N-[(4-ethylphenyl)-(1H-indol-3-yl)methyl]-N-methylacetamide
CID 51064503
diethyl 2-[1H-indol-3-yl-(4-methoxyphenyl)methyl]propanedioate
CID 102108904

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(R)-1H-indol-3-yl-(4-methoxyphenyl)methyl]-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-ethyl-N-[(R)-1H-indol-3-yl-(4-methoxyphenyl)methyl]-2-(4-methylphenoxy)acetamide (CID 35342667) is N-ethyl-N-[(R)-1H-indol-3-yl-(4-methoxyphenyl)methyl]-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-ethyl-N-[(R)-1H-indol-3-yl-(4-methoxyphenyl)methyl]-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-ethyl-N-[(R)-1H-indol-3-yl-(4-methoxyphenyl)methyl]-2-(4-methylphenoxy)acetamide is CCN(C(=O)COc1ccc(C)cc1)[C@H](c1ccc(OC)cc1)c1c[nH]c2ccccc12.
What is the InChIKey of N-ethyl-N-[(R)-1H-indol-3-yl-(4-methoxyphenyl)methyl]-2-(4-methylphenoxy)acetamide?
The InChIKey is NYFLEFZEKOXQNG-HHHXNRCGSA-N. The full InChI is InChI=1S/C27H28N2O3/c1-4-29(26(30)18-32-22-13-9-19(2)10-14-22)27(20-11-15-21(31-3)16-12-20)24-17-28-25-8-6-5-7-23(24)25/h5-17,27-28H,4,18H2,1-3H3/t27-/m1/s1.
What are the key properties of N-ethyl-N-[(R)-1H-indol-3-yl-(4-methoxyphenyl)methyl]-2-(4-methylphenoxy)acetamide?
N-ethyl-N-[(R)-1H-indol-3-yl-(4-methoxyphenyl)methyl]-2-(4-methylphenoxy)acetamide has a molecular weight of 428.53 g/mol, XLogP of 5.50, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(R)-1H-indol-3-yl-(4-methoxyphenyl)methyl]-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 35342667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).