2-[2,4-bis(2,2-dimethylpropyl)phenoxy]-N-(2,6-dimethylphenyl)acetamide

C26H37NO2 — CID 21210461

IUPAC2-[2,4-bis(2,2-dimethylpropyl)phenoxy]-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)COc1ccc(CC(C)(C)C)cc1CC(C)(C)C
InChIInChI=1S/C26H37NO2/c1-18-10-9-11-19(2)24(18)27-23(28)17-29-22-13-12-20(15-25(3,4)5)14-21(22)16-26(6,7)8/h9-14H,15-17H2,1-8H3,(H,27,28)
InChIKeyZXGSCVVTSFGFSM-UHFFFAOYSA-N
MW395.59 g/mol
LogP6.50
Rot. Bonds6

About 2-[2,4-bis(2,2-dimethylpropyl)phenoxy]-N-(2,6-dimethylphenyl)acetamide

2-[2,4-bis(2,2-dimethylpropyl)phenoxy]-N-(2,6-dimethylphenyl)acetamide (PubChem CID 21210461) has the molecular formula C26H37NO2 and a molecular weight of 395.59 g/mol. Its IUPAC name is 2-[2,4-bis(2,2-dimethylpropyl)phenoxy]-N-(2,6-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[2,4-bis(2,2-dimethylpropyl)phenoxy]-N-(2,6-dimethylphenyl)acetamide
PubChem CID21210461
Molecular FormulaC26H37NO2
Molecular Weight395.59 g/mol
Exact Mass395.28
IUPAC Name2-[2,4-bis(2,2-dimethylpropyl)phenoxy]-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)COc1ccc(CC(C)(C)C)cc1CC(C)(C)C
InChIInChI=1S/C26H37NO2/c1-18-10-9-11-19(2)24(18)27-23(28)17-29-22-13-12-20(15-25(3,4)5)14-21(22)16-26(6,7)8/h9-14H,15-17H2,1-8H3,(H,27,28)
InChIKeyZXGSCVVTSFGFSM-UHFFFAOYSA-N
XLogP6.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.59
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[2-[2,4-bis(2,2-dimethylpropyl)phenoxy]acetyl]amino]benzoyl chloride
CID 51056111
N-(2,6-dimethylphenyl)-2-(2-ethylphenoxy)acetamide
CID 19175719
2-(4-chloro-2-methylphenoxy)-N-(2,6-dimethylphenyl)acetamide
CID 803437
2-(4-bromo-2-chlorophenoxy)-N-(2,6-dimethylphenyl)acetamide
CID 2230439
2-(3,5-dimethylphenoxy)-N-(2-ethyl-6-methylphenyl)acetamide
CID 769435
2-(2-benzylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 7899812
N-(2,6-dimethylphenyl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 675140
2-(4-bromo-2-ethylphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 19201614
N-(2-ethyl-6-methylphenyl)-2-(2-methoxyphenoxy)acetamide
CID 717648
2-[[2-(2-benzylphenoxy)acetyl]amino]-N-(2,6-dimethylphenyl)acetamide
CID 24680148
methyl 3-chloro-4-[2-(2-ethyl-6-methylanilino)-2-oxoethoxy]benzoate
CID 55320823
sodium N-(2,6-dimethylphenyl)-2-methoxyacetamide
CID 19042259

Frequently Asked Questions

What is the IUPAC name of 2-[2,4-bis(2,2-dimethylpropyl)phenoxy]-N-(2,6-dimethylphenyl)acetamide?
The IUPAC name of 2-[2,4-bis(2,2-dimethylpropyl)phenoxy]-N-(2,6-dimethylphenyl)acetamide (CID 21210461) is 2-[2,4-bis(2,2-dimethylpropyl)phenoxy]-N-(2,6-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[2,4-bis(2,2-dimethylpropyl)phenoxy]-N-(2,6-dimethylphenyl)acetamide?
The canonical SMILES for 2-[2,4-bis(2,2-dimethylpropyl)phenoxy]-N-(2,6-dimethylphenyl)acetamide is Cc1cccc(C)c1NC(=O)COc1ccc(CC(C)(C)C)cc1CC(C)(C)C.
What is the InChIKey of 2-[2,4-bis(2,2-dimethylpropyl)phenoxy]-N-(2,6-dimethylphenyl)acetamide?
The InChIKey is ZXGSCVVTSFGFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37NO2/c1-18-10-9-11-19(2)24(18)27-23(28)17-29-22-13-12-20(15-25(3,4)5)14-21(22)16-26(6,7)8/h9-14H,15-17H2,1-8H3,(H,27,28).
What are the key properties of 2-[2,4-bis(2,2-dimethylpropyl)phenoxy]-N-(2,6-dimethylphenyl)acetamide?
2-[2,4-bis(2,2-dimethylpropyl)phenoxy]-N-(2,6-dimethylphenyl)acetamide has a molecular weight of 395.59 g/mol, XLogP of 6.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4-bis(2,2-dimethylpropyl)phenoxy]-N-(2,6-dimethylphenyl)acetamide is sourced from PubChem (CID 21210461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).