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

C29H32N2O2 — CID 35344444

IUPACN-ethyl-N-[(S)-1H-indol-3-yl-(4-methylphenyl)methyl]-2-(4-propan-2-ylphenoxy)acetamide
SMILESCCN(C(=O)COc1ccc(C(C)C)cc1)[C@@H](c1ccc(C)cc1)c1c[nH]c2ccccc12
InChIInChI=1S/C29H32N2O2/c1-5-31(28(32)19-33-24-16-14-22(15-17-24)20(2)3)29(23-12-10-21(4)11-13-23)26-18-30-27-9-7-6-8-25(26)27/h6-18,20,29-30H,5,19H2,1-4H3/t29-/m0/s1
InChIKeyGUDDZGJONMQALW-LJAQVGFWSA-N
MW440.59 g/mol
LogP6.62
Rot. Bonds8

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

N-ethyl-N-[(S)-1H-indol-3-yl-(4-methylphenyl)methyl]-2-(4-propan-2-ylphenoxy)acetamide (PubChem CID 35344444) has the molecular formula C29H32N2O2 and a molecular weight of 440.59 g/mol. Its IUPAC name is N-ethyl-N-[(S)-1H-indol-3-yl-(4-methylphenyl)methyl]-2-(4-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-ethyl-N-[(S)-1H-indol-3-yl-(4-methylphenyl)methyl]-2-(4-propan-2-ylphenoxy)acetamide
PubChem CID35344444
Molecular FormulaC29H32N2O2
Molecular Weight440.59 g/mol
Exact Mass440.25
IUPAC NameN-ethyl-N-[(S)-1H-indol-3-yl-(4-methylphenyl)methyl]-2-(4-propan-2-ylphenoxy)acetamide
SMILESCCN(C(=O)COc1ccc(C(C)C)cc1)[C@@H](c1ccc(C)cc1)c1c[nH]c2ccccc12
InChIInChI=1S/C29H32N2O2/c1-5-31(28(32)19-33-24-16-14-22(15-17-24)20(2)3)29(23-12-10-21(4)11-13-23)26-18-30-27-9-7-6-8-25(26)27/h6-18,20,29-30H,5,19H2,1-4H3/t29-/m0/s1
InChIKeyGUDDZGJONMQALW-LJAQVGFWSA-N
XLogP6.62
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.59
LogP ≤ 56.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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-methylphenyl)methyl]-2-phenoxyacetamide
CID 35343469
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-(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
2-(2,4-dichlorophenoxy)-N-ethyl-N-[(R)-1H-indol-3-yl-(4-methoxyphenyl)methyl]acetamide
CID 35344494
N-ethyl-N-[(S)-1H-indol-3-yl-(4-methylphenyl)methyl]-3,4,5-trimethoxybenzamide
CID 35342946
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-(4-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-ethyl-N-[(S)-1H-indol-3-yl-(4-methylphenyl)methyl]-2-(4-propan-2-ylphenoxy)acetamide (CID 35344444) is N-ethyl-N-[(S)-1H-indol-3-yl-(4-methylphenyl)methyl]-2-(4-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-ethyl-N-[(S)-1H-indol-3-yl-(4-methylphenyl)methyl]-2-(4-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-ethyl-N-[(S)-1H-indol-3-yl-(4-methylphenyl)methyl]-2-(4-propan-2-ylphenoxy)acetamide is CCN(C(=O)COc1ccc(C(C)C)cc1)[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-(4-propan-2-ylphenoxy)acetamide?
The InChIKey is GUDDZGJONMQALW-LJAQVGFWSA-N. The full InChI is InChI=1S/C29H32N2O2/c1-5-31(28(32)19-33-24-16-14-22(15-17-24)20(2)3)29(23-12-10-21(4)11-13-23)26-18-30-27-9-7-6-8-25(26)27/h6-18,20,29-30H,5,19H2,1-4H3/t29-/m0/s1.
What are the key properties of N-ethyl-N-[(S)-1H-indol-3-yl-(4-methylphenyl)methyl]-2-(4-propan-2-ylphenoxy)acetamide?
N-ethyl-N-[(S)-1H-indol-3-yl-(4-methylphenyl)methyl]-2-(4-propan-2-ylphenoxy)acetamide has a molecular weight of 440.59 g/mol, XLogP of 6.62, 8 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-(4-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 35344444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).