2-(4-tert-butyl-2-methoxyphenoxy)-N-[4-(3,4-dimethoxyphenyl)-2,2-dimethylbutyl]acetamide

C27H39NO5 — CID 129259478

IUPAC2-(4-tert-butyl-2-methoxyphenoxy)-N-[4-(3,4-dimethoxyphenyl)-2,2-dimethylbutyl]acetamide
SMILESCOc1ccc(CCC(C)(C)CNC(=O)COc2ccc(C(C)(C)C)cc2OC)cc1OC
InChIInChI=1S/C27H39NO5/c1-26(2,3)20-10-12-22(24(16-20)32-8)33-17-25(29)28-18-27(4,5)14-13-19-9-11-21(30-6)23(15-19)31-7/h9-12,15-16H,13-14,17-18H2,1-8H3,(H,28,29)
InChIKeyAWGVHECPVHUFFT-UHFFFAOYSA-N
MW457.61 g/mol
LogP5.16
Rot. Bonds11

About 2-(4-tert-butyl-2-methoxyphenoxy)-N-[4-(3,4-dimethoxyphenyl)-2,2-dimethylbutyl]acetamide

2-(4-tert-butyl-2-methoxyphenoxy)-N-[4-(3,4-dimethoxyphenyl)-2,2-dimethylbutyl]acetamide (PubChem CID 129259478) has the molecular formula C27H39NO5 and a molecular weight of 457.61 g/mol. Its IUPAC name is 2-(4-tert-butyl-2-methoxyphenoxy)-N-[4-(3,4-dimethoxyphenyl)-2,2-dimethylbutyl]acetamide.

Molecular Properties

Compound Name2-(4-tert-butyl-2-methoxyphenoxy)-N-[4-(3,4-dimethoxyphenyl)-2,2-dimethylbutyl]acetamide
PubChem CID129259478
Molecular FormulaC27H39NO5
Molecular Weight457.61 g/mol
Exact Mass457.28
IUPAC Name2-(4-tert-butyl-2-methoxyphenoxy)-N-[4-(3,4-dimethoxyphenyl)-2,2-dimethylbutyl]acetamide
SMILESCOc1ccc(CCC(C)(C)CNC(=O)COc2ccc(C(C)(C)C)cc2OC)cc1OC
InChIInChI=1S/C27H39NO5/c1-26(2,3)20-10-12-22(24(16-20)32-8)33-17-25(29)28-18-27(4,5)14-13-19-9-11-21(30-6)23(15-19)31-7/h9-12,15-16H,13-14,17-18H2,1-8H3,(H,28,29)
InChIKeyAWGVHECPVHUFFT-UHFFFAOYSA-N
XLogP5.16
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.61
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-bromo-4-tert-butylphenoxy)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 92671676
N-(4-amino-2,2-dimethylbutyl)-2-(3,4-dimethoxyphenyl)acetamide
CID 106140185
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 748754
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 112792859
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyphenoxy)acetamide
CID 7928589
2-[2-methoxy-4-(methylaminomethyl)phenoxy]-N-(2,2,2-trifluoroethyl)acetamide
CID 61492602
N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-phenoxyacetamide
CID 110442244
4-(3,4-dimethoxyphenyl)-2,2-dimethylbutanoic acid
CID 65298131
2-(4-acetyl-2-methoxyphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 18161532
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-ethoxyphenoxy)acetamide
CID 19177361
2-(4-tert-butylphenoxy)-N-[(3-methoxy-4-propoxyphenyl)methyl]acetamide
CID 54777035
N-(4-tert-butylphenyl)-2-(3,4-dimethoxyphenyl)acetamide
CID 7741769

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-2-methoxyphenoxy)-N-[4-(3,4-dimethoxyphenyl)-2,2-dimethylbutyl]acetamide?
The IUPAC name of 2-(4-tert-butyl-2-methoxyphenoxy)-N-[4-(3,4-dimethoxyphenyl)-2,2-dimethylbutyl]acetamide (CID 129259478) is 2-(4-tert-butyl-2-methoxyphenoxy)-N-[4-(3,4-dimethoxyphenyl)-2,2-dimethylbutyl]acetamide.
What is the SMILES notation for 2-(4-tert-butyl-2-methoxyphenoxy)-N-[4-(3,4-dimethoxyphenyl)-2,2-dimethylbutyl]acetamide?
The canonical SMILES for 2-(4-tert-butyl-2-methoxyphenoxy)-N-[4-(3,4-dimethoxyphenyl)-2,2-dimethylbutyl]acetamide is COc1ccc(CCC(C)(C)CNC(=O)COc2ccc(C(C)(C)C)cc2OC)cc1OC.
What is the InChIKey of 2-(4-tert-butyl-2-methoxyphenoxy)-N-[4-(3,4-dimethoxyphenyl)-2,2-dimethylbutyl]acetamide?
The InChIKey is AWGVHECPVHUFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H39NO5/c1-26(2,3)20-10-12-22(24(16-20)32-8)33-17-25(29)28-18-27(4,5)14-13-19-9-11-21(30-6)23(15-19)31-7/h9-12,15-16H,13-14,17-18H2,1-8H3,(H,28,29).
What are the key properties of 2-(4-tert-butyl-2-methoxyphenoxy)-N-[4-(3,4-dimethoxyphenyl)-2,2-dimethylbutyl]acetamide?
2-(4-tert-butyl-2-methoxyphenoxy)-N-[4-(3,4-dimethoxyphenyl)-2,2-dimethylbutyl]acetamide has a molecular weight of 457.61 g/mol, XLogP of 5.16, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-2-methoxyphenoxy)-N-[4-(3,4-dimethoxyphenyl)-2,2-dimethylbutyl]acetamide is sourced from PubChem (CID 129259478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).