2-[[2-(4-acetyl-2-methoxyphenoxy)acetyl]-methylamino]-N-tert-butylacetamide

C18H26N2O5 — CID 8808299

IUPAC2-[[2-(4-acetyl-2-methoxyphenoxy)acetyl]-methylamino]-N-tert-butylacetamide
SMILESCOc1cc(C(C)=O)ccc1OCC(=O)N(C)CC(=O)NC(C)(C)C
InChIInChI=1S/C18H26N2O5/c1-12(21)13-7-8-14(15(9-13)24-6)25-11-17(23)20(5)10-16(22)19-18(2,3)4/h7-9H,10-11H2,1-6H3,(H,19,22)
InChIKeyYXVXFPLEEIOFRZ-UHFFFAOYSA-N
MW350.42 g/mol
LogP1.65
Rot. Bonds7

About 2-[[2-(4-acetyl-2-methoxyphenoxy)acetyl]-methylamino]-N-tert-butylacetamide

2-[[2-(4-acetyl-2-methoxyphenoxy)acetyl]-methylamino]-N-tert-butylacetamide (PubChem CID 8808299) has the molecular formula C18H26N2O5 and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-[[2-(4-acetyl-2-methoxyphenoxy)acetyl]-methylamino]-N-tert-butylacetamide.

Molecular Properties

Compound Name2-[[2-(4-acetyl-2-methoxyphenoxy)acetyl]-methylamino]-N-tert-butylacetamide
PubChem CID8808299
Molecular FormulaC18H26N2O5
Molecular Weight350.42 g/mol
Exact Mass350.18
IUPAC Name2-[[2-(4-acetyl-2-methoxyphenoxy)acetyl]-methylamino]-N-tert-butylacetamide
SMILESCOc1cc(C(C)=O)ccc1OCC(=O)N(C)CC(=O)NC(C)(C)C
InChIInChI=1S/C18H26N2O5/c1-12(21)13-7-8-14(15(9-13)24-6)25-11-17(23)20(5)10-16(22)19-18(2,3)4/h7-9H,10-11H2,1-6H3,(H,19,22)
InChIKeyYXVXFPLEEIOFRZ-UHFFFAOYSA-N
XLogP1.65
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(4-acetyl-2-methoxyphenoxy)acetyl]-methylamino]-N-cyclopropylacetamide
CID 18093332
2-[(5-acetyl-2-methoxyphenyl)methyl-methylamino]-N-tert-butylacetamide
CID 8766908
N-tert-butyl-2-[[2-(2-chloro-4-fluorophenoxy)acetyl]-methylamino]acetamide
CID 18118150
N-tert-butyl-2-[methyl-[2-(2,4,5-trichlorophenoxy)acetyl]amino]acetamide
CID 9343613
N-tert-butyl-2-[methyl-[2-(2,4,6-trimethylphenoxy)acetyl]amino]acetamide
CID 24660351
[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-acetamido-4,5-dimethoxybenzoate
CID 55401924
2-(4-acetyl-2-methoxyphenoxy)-N-[(2-chlorophenyl)methyl]-N-methylacetamide
CID 26731799
[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 3,4-dimethoxybenzoate
CID 9200500
2-[[2-(3-bromophenoxy)acetyl]-methylamino]-N-tert-butylacetamide
CID 9193534
[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 9201503
[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-methoxy-5-nitrobenzoate
CID 40666691
1-(4-acetyl-2-methoxyphenoxy)butan-2-one
CID 62041056

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-acetyl-2-methoxyphenoxy)acetyl]-methylamino]-N-tert-butylacetamide?
The IUPAC name of 2-[[2-(4-acetyl-2-methoxyphenoxy)acetyl]-methylamino]-N-tert-butylacetamide (CID 8808299) is 2-[[2-(4-acetyl-2-methoxyphenoxy)acetyl]-methylamino]-N-tert-butylacetamide.
What is the SMILES notation for 2-[[2-(4-acetyl-2-methoxyphenoxy)acetyl]-methylamino]-N-tert-butylacetamide?
The canonical SMILES for 2-[[2-(4-acetyl-2-methoxyphenoxy)acetyl]-methylamino]-N-tert-butylacetamide is COc1cc(C(C)=O)ccc1OCC(=O)N(C)CC(=O)NC(C)(C)C.
What is the InChIKey of 2-[[2-(4-acetyl-2-methoxyphenoxy)acetyl]-methylamino]-N-tert-butylacetamide?
The InChIKey is YXVXFPLEEIOFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O5/c1-12(21)13-7-8-14(15(9-13)24-6)25-11-17(23)20(5)10-16(22)19-18(2,3)4/h7-9H,10-11H2,1-6H3,(H,19,22).
What are the key properties of 2-[[2-(4-acetyl-2-methoxyphenoxy)acetyl]-methylamino]-N-tert-butylacetamide?
2-[[2-(4-acetyl-2-methoxyphenoxy)acetyl]-methylamino]-N-tert-butylacetamide has a molecular weight of 350.42 g/mol, XLogP of 1.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-acetyl-2-methoxyphenoxy)acetyl]-methylamino]-N-tert-butylacetamide is sourced from PubChem (CID 8808299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).