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

C17H26N2O4 — CID 113056601

IUPACN-[2-[acetyl(tert-butyl)amino]ethyl]-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)NCCN(C(C)=O)C(C)(C)C
InChIInChI=1S/C17H26N2O4/c1-13(20)19(17(2,3)4)11-10-18-16(21)12-23-15-9-7-6-8-14(15)22-5/h6-9H,10-12H2,1-5H3,(H,18,21)
InChIKeyRBABDAYWHLORFF-UHFFFAOYSA-N
MW322.40 g/mol
LogP1.84
Rot. Bonds7

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

N-[2-[acetyl(tert-butyl)amino]ethyl]-2-(2-methoxyphenoxy)acetamide (PubChem CID 113056601) has the molecular formula C17H26N2O4 and a molecular weight of 322.40 g/mol. Its IUPAC name is N-[2-[acetyl(tert-butyl)amino]ethyl]-2-(2-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-[acetyl(tert-butyl)amino]ethyl]-2-(2-methoxyphenoxy)acetamide
PubChem CID113056601
Molecular FormulaC17H26N2O4
Molecular Weight322.40 g/mol
Exact Mass322.19
IUPAC NameN-[2-[acetyl(tert-butyl)amino]ethyl]-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)NCCN(C(C)=O)C(C)(C)C
InChIInChI=1S/C17H26N2O4/c1-13(20)19(17(2,3)4)11-10-18-16(21)12-23-15-9-7-6-8-14(15)22-5/h6-9H,10-12H2,1-5H3,(H,18,21)
InChIKeyRBABDAYWHLORFF-UHFFFAOYSA-N
XLogP1.84
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[acetyl(3-methylbutyl)amino]ethyl]-2-(2-methoxyphenoxy)acetamide
CID 113056855
N-[2-(N-acetyl-4-fluoroanilino)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 113059329
N-[2-[acetyl(tert-butyl)amino]ethyl]-2-phenylacetamide
CID 113056581
N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 113064642
N-[2-[acetyl(furan-2-ylmethyl)amino]ethyl]-2-(2-methoxyphenoxy)acetamide
CID 113053908
N-[2-[acetyl-[(3-methylphenyl)methyl]amino]ethyl]-2-(2-methoxyphenoxy)acetamide
CID 113054259
N-[2-[acetyl(tert-butyl)amino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 113056584
N-tert-butyl-2-(2-methoxyphenoxy)acetamide
CID 922262
N-hexyl-2-(2-methoxyphenoxy)acetamide
CID 19169780
2-(2-ethoxyphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]acetamide
CID 8961000
N-[2-(1,3-dioxolan-2-yl)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 110369950
tert-butyl N-[2-[3-[[2-(2-methoxyphenoxy)acetyl]amino]propylamino]-2-oxoethyl]carbamate
CID 108918782

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl(tert-butyl)amino]ethyl]-2-(2-methoxyphenoxy)acetamide?
The IUPAC name of N-[2-[acetyl(tert-butyl)amino]ethyl]-2-(2-methoxyphenoxy)acetamide (CID 113056601) is N-[2-[acetyl(tert-butyl)amino]ethyl]-2-(2-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[2-[acetyl(tert-butyl)amino]ethyl]-2-(2-methoxyphenoxy)acetamide?
The canonical SMILES for N-[2-[acetyl(tert-butyl)amino]ethyl]-2-(2-methoxyphenoxy)acetamide is COc1ccccc1OCC(=O)NCCN(C(C)=O)C(C)(C)C.
What is the InChIKey of N-[2-[acetyl(tert-butyl)amino]ethyl]-2-(2-methoxyphenoxy)acetamide?
The InChIKey is RBABDAYWHLORFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-13(20)19(17(2,3)4)11-10-18-16(21)12-23-15-9-7-6-8-14(15)22-5/h6-9H,10-12H2,1-5H3,(H,18,21).
What are the key properties of N-[2-[acetyl(tert-butyl)amino]ethyl]-2-(2-methoxyphenoxy)acetamide?
N-[2-[acetyl(tert-butyl)amino]ethyl]-2-(2-methoxyphenoxy)acetamide has a molecular weight of 322.40 g/mol, XLogP of 1.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl(tert-butyl)amino]ethyl]-2-(2-methoxyphenoxy)acetamide is sourced from PubChem (CID 113056601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).