2-[2-tert-butyl-6-(2,2-dimethylpropyl)-4-propylphenoxy]-N-[2-(dimethylamino)ethyl]acetamide

C24H42N2O2 — CID 143215066

IUPAC2-[2-tert-butyl-6-(2,2-dimethylpropyl)-4-propylphenoxy]-N-[2-(dimethylamino)ethyl]acetamide
SMILESCCCc1cc(CC(C)(C)C)c(OCC(=O)NCCN(C)C)c(C(C)(C)C)c1
InChIInChI=1S/C24H42N2O2/c1-10-11-18-14-19(16-23(2,3)4)22(20(15-18)24(5,6)7)28-17-21(27)25-12-13-26(8)9/h14-15H,10-13,16-17H2,1-9H3,(H,25,27)
InChIKeyWEPOAKUPFZMFKE-UHFFFAOYSA-N
MW390.61 g/mol
LogP4.58
Rot. Bonds9

About 2-[2-tert-butyl-6-(2,2-dimethylpropyl)-4-propylphenoxy]-N-[2-(dimethylamino)ethyl]acetamide

2-[2-tert-butyl-6-(2,2-dimethylpropyl)-4-propylphenoxy]-N-[2-(dimethylamino)ethyl]acetamide (PubChem CID 143215066) has the molecular formula C24H42N2O2 and a molecular weight of 390.61 g/mol. Its IUPAC name is 2-[2-tert-butyl-6-(2,2-dimethylpropyl)-4-propylphenoxy]-N-[2-(dimethylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-[2-tert-butyl-6-(2,2-dimethylpropyl)-4-propylphenoxy]-N-[2-(dimethylamino)ethyl]acetamide
PubChem CID143215066
Molecular FormulaC24H42N2O2
Molecular Weight390.61 g/mol
Exact Mass390.32
IUPAC Name2-[2-tert-butyl-6-(2,2-dimethylpropyl)-4-propylphenoxy]-N-[2-(dimethylamino)ethyl]acetamide
SMILESCCCc1cc(CC(C)(C)C)c(OCC(=O)NCCN(C)C)c(C(C)(C)C)c1
InChIInChI=1S/C24H42N2O2/c1-10-11-18-14-19(16-23(2,3)4)22(20(15-18)24(5,6)7)28-17-21(27)25-12-13-26(8)9/h14-15H,10-13,16-17H2,1-9H3,(H,25,27)
InChIKeyWEPOAKUPFZMFKE-UHFFFAOYSA-N
XLogP4.58
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.61
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)ethyl]-2-[2-[[2-[2-[2-(dimethylamino)ethylamino]-2-oxoethoxy]-3-ethyl-5-(2-methylpropyl)phenyl]methyl]-6-methyl-4-propylphenoxy]acetamide
CID 59859606
N-[2-(dimethylamino)ethyl]-2-[2-[[3-[[2-[2-[2-(dimethylamino)ethylamino]-2-oxoethoxy]-3-[[3-ethyl-2-[2-oxo-2-(propylamino)ethoxy]-5-propylphenyl]methyl]-5-(2-methylpropyl)phenyl]methyl]-2-[2-oxo-2-(propylamino)ethoxy]-5-propylphenyl]methyl]-4-(2-methylpropyl)phenoxy]acetamide
CID 90141943
N-[2-(dimethylamino)ethyl]-2-[2-[(3-ethyl-2-hydroxyphenyl)methyl]-6-methylphenoxy]acetamide
CID 59859568
N-[2-(dimethylamino)ethyl]-2-(3,4-dimethylphenoxy)acetamide
CID 19165327
N-(2-aminoethyl)-3-(3,5-ditert-butyl-4-methoxyphenyl)propanamide
CID 22104700
N-[2-(dimethylamino)ethyl]-2-[[5,11,17,23-tetratert-butyl-26,28-dihydroxy-27-[2-oxo-2-(pyren-1-ylmethylamino)ethoxy]-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaenyl]oxy]acetamide
CID 101433261
N-[2-(dimethylamino)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 110757113
3-tert-butyl-N-[2-(dimethylamino)ethyl]-2-methoxy-5-methylbenzamide
CID 110763107
(2,6-ditert-butyl-4-propylphenyl) formate
CID 123415611
N-[2-(dimethylamino)ethyl]-2-[2-[[3-[[2-[2-[2-(dimethylamino)ethylamino]-2-oxoethoxy]-3-[[3-ethyl-5-(2-methylprop-2-enyl)-2-[2-oxo-2-(propylamino)ethoxy]phenyl]methyl]-5-prop-2-enylphenyl]methyl]-5-(2-methylprop-2-enyl)-2-[2-oxo-2-(propylamino)ethoxy]phenyl]methyl]-4-prop-2-enylphenoxy]acetamide
CID 90141925
2-(2,5-dichlorophenoxy)-N-[2-(dimethylamino)ethyl]acetamide
CID 19165328
2-(2,3-dimethoxyphenoxy)-N-[2-(dimethylamino)ethyl]acetamide
CID 112978344

Frequently Asked Questions

What is the IUPAC name of 2-[2-tert-butyl-6-(2,2-dimethylpropyl)-4-propylphenoxy]-N-[2-(dimethylamino)ethyl]acetamide?
The IUPAC name of 2-[2-tert-butyl-6-(2,2-dimethylpropyl)-4-propylphenoxy]-N-[2-(dimethylamino)ethyl]acetamide (CID 143215066) is 2-[2-tert-butyl-6-(2,2-dimethylpropyl)-4-propylphenoxy]-N-[2-(dimethylamino)ethyl]acetamide.
What is the SMILES notation for 2-[2-tert-butyl-6-(2,2-dimethylpropyl)-4-propylphenoxy]-N-[2-(dimethylamino)ethyl]acetamide?
The canonical SMILES for 2-[2-tert-butyl-6-(2,2-dimethylpropyl)-4-propylphenoxy]-N-[2-(dimethylamino)ethyl]acetamide is CCCc1cc(CC(C)(C)C)c(OCC(=O)NCCN(C)C)c(C(C)(C)C)c1.
What is the InChIKey of 2-[2-tert-butyl-6-(2,2-dimethylpropyl)-4-propylphenoxy]-N-[2-(dimethylamino)ethyl]acetamide?
The InChIKey is WEPOAKUPFZMFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42N2O2/c1-10-11-18-14-19(16-23(2,3)4)22(20(15-18)24(5,6)7)28-17-21(27)25-12-13-26(8)9/h14-15H,10-13,16-17H2,1-9H3,(H,25,27).
What are the key properties of 2-[2-tert-butyl-6-(2,2-dimethylpropyl)-4-propylphenoxy]-N-[2-(dimethylamino)ethyl]acetamide?
2-[2-tert-butyl-6-(2,2-dimethylpropyl)-4-propylphenoxy]-N-[2-(dimethylamino)ethyl]acetamide has a molecular weight of 390.61 g/mol, XLogP of 4.58, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-tert-butyl-6-(2,2-dimethylpropyl)-4-propylphenoxy]-N-[2-(dimethylamino)ethyl]acetamide is sourced from PubChem (CID 143215066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).