N-tert-butyl-2-[[2-(2,4-dimethylphenoxy)acetyl]-ethylamino]acetamide

C18H28N2O3 — CID 51193404

IUPACN-tert-butyl-2-[[2-(2,4-dimethylphenoxy)acetyl]-ethylamino]acetamide
SMILESCCN(CC(=O)NC(C)(C)C)C(=O)COc1ccc(C)cc1C
InChIInChI=1S/C18H28N2O3/c1-7-20(11-16(21)19-18(4,5)6)17(22)12-23-15-9-8-13(2)10-14(15)3/h8-10H,7,11-12H2,1-6H3,(H,19,21)
InChIKeyHSXJTZOERBKCOD-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.45
Rot. Bonds6

About N-tert-butyl-2-[[2-(2,4-dimethylphenoxy)acetyl]-ethylamino]acetamide

N-tert-butyl-2-[[2-(2,4-dimethylphenoxy)acetyl]-ethylamino]acetamide (PubChem CID 51193404) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is N-tert-butyl-2-[[2-(2,4-dimethylphenoxy)acetyl]-ethylamino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[2-(2,4-dimethylphenoxy)acetyl]-ethylamino]acetamide
PubChem CID51193404
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC NameN-tert-butyl-2-[[2-(2,4-dimethylphenoxy)acetyl]-ethylamino]acetamide
SMILESCCN(CC(=O)NC(C)(C)C)C(=O)COc1ccc(C)cc1C
InChIInChI=1S/C18H28N2O3/c1-7-20(11-16(21)19-18(4,5)6)17(22)12-23-15-9-8-13(2)10-14(15)3/h8-10H,7,11-12H2,1-6H3,(H,19,21)
InChIKeyHSXJTZOERBKCOD-UHFFFAOYSA-N
XLogP2.45
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dimethylphenoxy)-N-(oxolan-2-ylmethyl)acetamide
CID 2789933
2-(2-cyanophenoxy)-N-(propan-2-yl)acetamide
CID 2565339
Morpholine, 4-((2,4-dimethylphenoxy)acetyl)-
CID 876380
2(1H)-Pyridinone, 3-(dimethylamino)-5-ethyl-4-(4-methoxy-3-methylphenyl)methyl-6-methyl-
CID 486973
2-(2,4-dimethylphenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 753654
N-(2-methyl-2-morpholin-4-ylpropyl)-2-(3-methylphenoxy)acetamide
CID 4792390
N-[2-(2-Propylphenoxy)ethyl]acetamide
CID 559346
N-[2-(1-cyclohexen-1-yl)ethyl]-2-(2-methylphenoxy)acetamide
CID 729861
N-ethyl-2-(4-ethylphenoxy)acetamide
CID 3474705
N-cyclopropyl-2-(2,6-dimethylphenoxy)acetamide
CID 974557
Acetamide, 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-N,N-diethyl-
CID 86318
2-(3,5-dimethylphenoxy)-N-[2-(morpholin-4-yl)ethyl]acetamide
CID 650107

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[2-(2,4-dimethylphenoxy)acetyl]-ethylamino]acetamide?
The IUPAC name of N-tert-butyl-2-[[2-(2,4-dimethylphenoxy)acetyl]-ethylamino]acetamide (CID 51193404) is N-tert-butyl-2-[[2-(2,4-dimethylphenoxy)acetyl]-ethylamino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[[2-(2,4-dimethylphenoxy)acetyl]-ethylamino]acetamide?
The canonical SMILES for N-tert-butyl-2-[[2-(2,4-dimethylphenoxy)acetyl]-ethylamino]acetamide is CCN(CC(=O)NC(C)(C)C)C(=O)COc1ccc(C)cc1C.
What is the InChIKey of N-tert-butyl-2-[[2-(2,4-dimethylphenoxy)acetyl]-ethylamino]acetamide?
The InChIKey is HSXJTZOERBKCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-7-20(11-16(21)19-18(4,5)6)17(22)12-23-15-9-8-13(2)10-14(15)3/h8-10H,7,11-12H2,1-6H3,(H,19,21).
What are the key properties of N-tert-butyl-2-[[2-(2,4-dimethylphenoxy)acetyl]-ethylamino]acetamide?
N-tert-butyl-2-[[2-(2,4-dimethylphenoxy)acetyl]-ethylamino]acetamide has a molecular weight of 320.43 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[2-(2,4-dimethylphenoxy)acetyl]-ethylamino]acetamide is sourced from PubChem (CID 51193404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).