N-[1-(4-tert-butylphenyl)ethyl]-N-[2-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanamide

C26H37NO2 — CID 143822863

IUPACN-[1-(4-tert-butylphenyl)ethyl]-N-[2-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanamide
SMILESCOc1ccc(CCN(C(=O)C(C)(C)C)C(C)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C26H37NO2/c1-19(21-11-13-22(14-12-21)25(2,3)4)27(24(28)26(5,6)7)18-17-20-9-15-23(29-8)16-10-20/h9-16,19H,17-18H2,1-8H3
InChIKeyOGZGOPQGBLONHY-UHFFFAOYSA-N
MW395.59 g/mol
LogP6.17
Rot. Bonds6

About N-[1-(4-tert-butylphenyl)ethyl]-N-[2-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanamide

N-[1-(4-tert-butylphenyl)ethyl]-N-[2-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanamide (PubChem CID 143822863) has the molecular formula C26H37NO2 and a molecular weight of 395.59 g/mol. Its IUPAC name is N-[1-(4-tert-butylphenyl)ethyl]-N-[2-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[1-(4-tert-butylphenyl)ethyl]-N-[2-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanamide
PubChem CID143822863
Molecular FormulaC26H37NO2
Molecular Weight395.59 g/mol
Exact Mass395.28
IUPAC NameN-[1-(4-tert-butylphenyl)ethyl]-N-[2-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanamide
SMILESCOc1ccc(CCN(C(=O)C(C)(C)C)C(C)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C26H37NO2/c1-19(21-11-13-22(14-12-21)25(2,3)4)27(24(28)26(5,6)7)18-17-20-9-15-23(29-8)16-10-20/h9-16,19H,17-18H2,1-8H3
InChIKeyOGZGOPQGBLONHY-UHFFFAOYSA-N
XLogP6.17
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.59
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-tert-butylphenyl)ethyl]-N-[2-(4-methoxyphenyl)ethyl]propanamide;ethylbenzene
CID 143822741
N-[1-(4-tert-butylphenyl)ethyl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 143822828
1-tert-butyl-4-[1-(4-methoxyphenyl)-3-phenylpropyl]benzene
CID 168720165
2-(4-tert-butylphenoxy)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 2960859
1,3-bis(4-propan-2-ylphenyl)propan-1-ol;1-(4-tert-butylphenyl)-3-(4-propan-2-ylphenyl)propan-1-ol;3-(4-tert-butylphenyl)-1-(4-propan-2-ylphenyl)propan-1-ol;1,3-diphenylpropan-1-ol;1-(4-methoxyphenyl)-3-(4-propan-2-ylphenyl)propan-1-ol;3-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)propan-1-ol;1-phenyl-3-(4-propan-2-ylphenyl)propan-1-ol;3-phenyl-1-(4-propan-2-ylphenyl)propan-1-ol
CID 158011051
2-[2-(4-methoxyphenyl)ethyl-methylamino]propanoic acid
CID 62638720
(4R)-1,4-bis(4-methoxyphenyl)pentan-3-one
CID 166438923
tert-butyl N-[(R)-deuterio(phenyl)methyl]-N-[(1S)-1-(4-methoxyphenyl)ethyl]carbamate
CID 136864069
2-[2-(4-methoxyphenyl)ethyl-methylamino]propanoic acid;hydrochloride
CID 119913768
(2S)-N-[(2S)-butan-2-yl]-2-[3-(4-tert-butylphenyl)propanoyl-[(4-methoxyphenyl)methyl]amino]propanamide
CID 100617441
(2S)-N-[(2R)-butan-2-yl]-2-[3-(4-tert-butylphenyl)propanoyl-[(4-methoxyphenyl)methyl]amino]propanamide
CID 100617427
N-benzyl-2,2-dimethyl-N-[(1S)-1-phenylethyl]propanamide
CID 126749944

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-tert-butylphenyl)ethyl]-N-[2-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[1-(4-tert-butylphenyl)ethyl]-N-[2-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanamide (CID 143822863) is N-[1-(4-tert-butylphenyl)ethyl]-N-[2-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[1-(4-tert-butylphenyl)ethyl]-N-[2-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[1-(4-tert-butylphenyl)ethyl]-N-[2-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanamide is COc1ccc(CCN(C(=O)C(C)(C)C)C(C)c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of N-[1-(4-tert-butylphenyl)ethyl]-N-[2-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanamide?
The InChIKey is OGZGOPQGBLONHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37NO2/c1-19(21-11-13-22(14-12-21)25(2,3)4)27(24(28)26(5,6)7)18-17-20-9-15-23(29-8)16-10-20/h9-16,19H,17-18H2,1-8H3.
What are the key properties of N-[1-(4-tert-butylphenyl)ethyl]-N-[2-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanamide?
N-[1-(4-tert-butylphenyl)ethyl]-N-[2-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanamide has a molecular weight of 395.59 g/mol, XLogP of 6.17, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-tert-butylphenyl)ethyl]-N-[2-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 143822863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).