N-[2-[acetyl(tert-butyl)amino]ethyl]-2-(4-methoxyphenyl)acetamide

C17H26N2O3 — CID 113056584

IUPACN-[2-[acetyl(tert-butyl)amino]ethyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCCN(C(C)=O)C(C)(C)C)cc1
InChIInChI=1S/C17H26N2O3/c1-13(20)19(17(2,3)4)11-10-18-16(21)12-14-6-8-15(22-5)9-7-14/h6-9H,10-12H2,1-5H3,(H,18,21)
InChIKeyQBYRSSQJSYAYQD-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.00
Rot. Bonds6

About N-[2-[acetyl(tert-butyl)amino]ethyl]-2-(4-methoxyphenyl)acetamide

N-[2-[acetyl(tert-butyl)amino]ethyl]-2-(4-methoxyphenyl)acetamide (PubChem CID 113056584) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[2-[acetyl(tert-butyl)amino]ethyl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[2-[acetyl(tert-butyl)amino]ethyl]-2-(4-methoxyphenyl)acetamide
PubChem CID113056584
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC NameN-[2-[acetyl(tert-butyl)amino]ethyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCCN(C(C)=O)C(C)(C)C)cc1
InChIInChI=1S/C17H26N2O3/c1-13(20)19(17(2,3)4)11-10-18-16(21)12-14-6-8-15(22-5)9-7-14/h6-9H,10-12H2,1-5H3,(H,18,21)
InChIKeyQBYRSSQJSYAYQD-UHFFFAOYSA-N
XLogP2.00
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[acetyl(tert-butyl)amino]ethyl]-2-phenylacetamide
CID 113056581
N-[2-[acetyl(2-methoxyethyl)amino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 113053170
N-[2-[acetyl(cyclohexyl)amino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 113052939
N-[2-[acetyl(cycloheptyl)amino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 113056718
N-[2-[acetyl-[2-(dimethylamino)ethyl]amino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 113053547
N-[2-[acetyl(butan-2-yl)amino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 113052674
N-[2-[N-acetyl-4-(dimethylamino)anilino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 113062185
N-[2-[2-aminoethyl-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]amino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 56968146
N-[2-(N-acetyl-4-methoxyanilino)ethyl]-2-(4-fluorophenyl)acetamide
CID 113060664
N-[2-[acetyl(tert-butyl)amino]ethyl]-2-(2-methoxyphenoxy)acetamide
CID 113056601
N-(2-hydroxy-2-methylpropyl)-2-(4-methoxyphenyl)acetamide
CID 65109847
N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 108538633

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl(tert-butyl)amino]ethyl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[2-[acetyl(tert-butyl)amino]ethyl]-2-(4-methoxyphenyl)acetamide (CID 113056584) is N-[2-[acetyl(tert-butyl)amino]ethyl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[2-[acetyl(tert-butyl)amino]ethyl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[2-[acetyl(tert-butyl)amino]ethyl]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)NCCN(C(C)=O)C(C)(C)C)cc1.
What is the InChIKey of N-[2-[acetyl(tert-butyl)amino]ethyl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is QBYRSSQJSYAYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-13(20)19(17(2,3)4)11-10-18-16(21)12-14-6-8-15(22-5)9-7-14/h6-9H,10-12H2,1-5H3,(H,18,21).
What are the key properties of N-[2-[acetyl(tert-butyl)amino]ethyl]-2-(4-methoxyphenyl)acetamide?
N-[2-[acetyl(tert-butyl)amino]ethyl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 306.41 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl(tert-butyl)amino]ethyl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 113056584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).