2-(4-tert-butylphenoxy)-N-(2,4-dimethylpentan-3-yl)acetamide

C19H31NO2 — CID 53283030

IUPAC2-(4-tert-butylphenoxy)-N-(2,4-dimethylpentan-3-yl)acetamide
SMILESCC(C)C(NC(=O)COc1ccc(C(C)(C)C)cc1)C(C)C
InChIInChI=1S/C19H31NO2/c1-13(2)18(14(3)4)20-17(21)12-22-16-10-8-15(9-11-16)19(5,6)7/h8-11,13-14,18H,12H2,1-7H3,(H,20,21)
InChIKeyJHULOVPUOGBYMG-UHFFFAOYSA-N
MW305.46 g/mol
LogP4.16
Rot. Bonds6

About 2-(4-tert-butylphenoxy)-N-(2,4-dimethylpentan-3-yl)acetamide

2-(4-tert-butylphenoxy)-N-(2,4-dimethylpentan-3-yl)acetamide (PubChem CID 53283030) has the molecular formula C19H31NO2 and a molecular weight of 305.46 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-(2,4-dimethylpentan-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-N-(2,4-dimethylpentan-3-yl)acetamide
PubChem CID53283030
Molecular FormulaC19H31NO2
Molecular Weight305.46 g/mol
Exact Mass305.24
IUPAC Name2-(4-tert-butylphenoxy)-N-(2,4-dimethylpentan-3-yl)acetamide
SMILESCC(C)C(NC(=O)COc1ccc(C(C)(C)C)cc1)C(C)C
InChIInChI=1S/C19H31NO2/c1-13(2)18(14(3)4)20-17(21)12-22-16-10-8-15(9-11-16)19(5,6)7/h8-11,13-14,18H,12H2,1-7H3,(H,20,21)
InChIKeyJHULOVPUOGBYMG-UHFFFAOYSA-N
XLogP4.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.46
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-(4-tert-butylphenoxy)acetyl]amino]propanoic acid
CID 16641722
2-(4-tert-butylphenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 2462788
N-[(1R)-1-(4-aminophenyl)ethyl]-2-(4-tert-butylphenoxy)acetamide
CID 58640419
2-(4-tert-butylphenoxy)-N'-methylacetohydrazide
CID 116820676
N-[[(2R)-butan-2-yl]carbamoyl]-2-(4-tert-butylphenoxy)acetamide
CID 8009528
4-tert-butyl-N-[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]benzamide
CID 9252674
2-(4-tert-butylphenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide
CID 92685438
N-[4-[1-[[2-(4-tert-butylphenoxy)acetyl]amino]ethyl]phenyl]propanamide
CID 55657683
2-(4-tert-butylphenoxy)-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 17329495
1-N',6-N'-bis[2-(4-tert-butylphenoxy)acetyl]hexanedihydrazide
CID 3322788
4-tert-butyl-N'-[2-(4-tert-butylphenoxy)acetyl]benzohydrazide
CID 3311747
2-(4-tert-butylphenoxy)-N-[1-(furan-3-yl)propan-2-yl]acetamide
CID 121127052

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N-(2,4-dimethylpentan-3-yl)acetamide?
The IUPAC name of 2-(4-tert-butylphenoxy)-N-(2,4-dimethylpentan-3-yl)acetamide (CID 53283030) is 2-(4-tert-butylphenoxy)-N-(2,4-dimethylpentan-3-yl)acetamide.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-N-(2,4-dimethylpentan-3-yl)acetamide?
The canonical SMILES for 2-(4-tert-butylphenoxy)-N-(2,4-dimethylpentan-3-yl)acetamide is CC(C)C(NC(=O)COc1ccc(C(C)(C)C)cc1)C(C)C.
What is the InChIKey of 2-(4-tert-butylphenoxy)-N-(2,4-dimethylpentan-3-yl)acetamide?
The InChIKey is JHULOVPUOGBYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO2/c1-13(2)18(14(3)4)20-17(21)12-22-16-10-8-15(9-11-16)19(5,6)7/h8-11,13-14,18H,12H2,1-7H3,(H,20,21).
What are the key properties of 2-(4-tert-butylphenoxy)-N-(2,4-dimethylpentan-3-yl)acetamide?
2-(4-tert-butylphenoxy)-N-(2,4-dimethylpentan-3-yl)acetamide has a molecular weight of 305.46 g/mol, XLogP of 4.16, 6 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-(2,4-dimethylpentan-3-yl)acetamide is sourced from PubChem (CID 53283030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).