2-(4-tert-butylphenoxy)-N-[(4-ethylphenyl)-(1H-indol-3-yl)methyl]-N-methylacetamide

C30H34N2O2 — CID 51064503

IUPAC2-(4-tert-butylphenoxy)-N-[(4-ethylphenyl)-(1H-indol-3-yl)methyl]-N-methylacetamide
SMILESCCc1ccc(C(c2c[nH]c3ccccc23)N(C)C(=O)COc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C30H34N2O2/c1-6-21-11-13-22(14-12-21)29(26-19-31-27-10-8-7-9-25(26)27)32(5)28(33)20-34-24-17-15-23(16-18-24)30(2,3)4/h7-19,29,31H,6,20H2,1-5H3
InChIKeySGNCGCCKRKRVBX-UHFFFAOYSA-N
MW454.61 g/mol
LogP6.65
Rot. Bonds7

About 2-(4-tert-butylphenoxy)-N-[(4-ethylphenyl)-(1H-indol-3-yl)methyl]-N-methylacetamide

2-(4-tert-butylphenoxy)-N-[(4-ethylphenyl)-(1H-indol-3-yl)methyl]-N-methylacetamide (PubChem CID 51064503) has the molecular formula C30H34N2O2 and a molecular weight of 454.61 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-[(4-ethylphenyl)-(1H-indol-3-yl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-N-[(4-ethylphenyl)-(1H-indol-3-yl)methyl]-N-methylacetamide
PubChem CID51064503
Molecular FormulaC30H34N2O2
Molecular Weight454.61 g/mol
Exact Mass454.26
IUPAC Name2-(4-tert-butylphenoxy)-N-[(4-ethylphenyl)-(1H-indol-3-yl)methyl]-N-methylacetamide
SMILESCCc1ccc(C(c2c[nH]c3ccccc23)N(C)C(=O)COc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C30H34N2O2/c1-6-21-11-13-22(14-12-21)29(26-19-31-27-10-8-7-9-25(26)27)32(5)28(33)20-34-24-17-15-23(16-18-24)30(2,3)4/h7-19,29,31H,6,20H2,1-5H3
InChIKeySGNCGCCKRKRVBX-UHFFFAOYSA-N
XLogP6.65
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.61
LogP ≤ 56.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-ethylphenoxy)-N-[1H-indol-3-yl(thiophen-2-yl)methyl]-N-methylacetamide
CID 20895193
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-methoxyphenyl)methyl]-2-(4-methoxyphenoxy)acetamide
CID 35344394
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-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-[(S)-1H-indol-3-yl(thiophen-2-yl)methyl]-N-methylacetamide
CID 26821155
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-[(R)-1H-indol-3-yl(phenyl)methyl]-N-methylpentanamide
CID 26741856
2-(2,4-dichlorophenoxy)-N-ethyl-N-[(R)-1H-indol-3-yl-(4-methoxyphenyl)methyl]acetamide
CID 35344494
3-[2-(4-tert-butylphenyl)-1-(1H-indol-3-yl)ethyl]-1H-indole
CID 132529632

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N-[(4-ethylphenyl)-(1H-indol-3-yl)methyl]-N-methylacetamide?
The IUPAC name of 2-(4-tert-butylphenoxy)-N-[(4-ethylphenyl)-(1H-indol-3-yl)methyl]-N-methylacetamide (CID 51064503) is 2-(4-tert-butylphenoxy)-N-[(4-ethylphenyl)-(1H-indol-3-yl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-N-[(4-ethylphenyl)-(1H-indol-3-yl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(4-tert-butylphenoxy)-N-[(4-ethylphenyl)-(1H-indol-3-yl)methyl]-N-methylacetamide is CCc1ccc(C(c2c[nH]c3ccccc23)N(C)C(=O)COc2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 2-(4-tert-butylphenoxy)-N-[(4-ethylphenyl)-(1H-indol-3-yl)methyl]-N-methylacetamide?
The InChIKey is SGNCGCCKRKRVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N2O2/c1-6-21-11-13-22(14-12-21)29(26-19-31-27-10-8-7-9-25(26)27)32(5)28(33)20-34-24-17-15-23(16-18-24)30(2,3)4/h7-19,29,31H,6,20H2,1-5H3.
What are the key properties of 2-(4-tert-butylphenoxy)-N-[(4-ethylphenyl)-(1H-indol-3-yl)methyl]-N-methylacetamide?
2-(4-tert-butylphenoxy)-N-[(4-ethylphenyl)-(1H-indol-3-yl)methyl]-N-methylacetamide has a molecular weight of 454.61 g/mol, XLogP of 6.65, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)-N-[(4-ethylphenyl)-(1H-indol-3-yl)methyl]-N-methylacetamide is sourced from PubChem (CID 51064503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).