2-(4-acetyl-3-aminophenoxy)-N-[4-(1-methoxy-3-methylpentan-3-yl)oxy-2-methylbutan-2-yl]acetamide

C22H36N2O5 — CID 89083104

IUPAC2-(4-acetyl-3-aminophenoxy)-N-[4-(1-methoxy-3-methylpentan-3-yl)oxy-2-methylbutan-2-yl]acetamide
SMILESCCC(C)(CCOC)OCCC(C)(C)NC(=O)COc1ccc(C(C)=O)c(N)c1
InChIInChI=1S/C22H36N2O5/c1-7-22(5,11-12-27-6)29-13-10-21(3,4)24-20(26)15-28-17-8-9-18(16(2)25)19(23)14-17/h8-9,14H,7,10-13,15,23H2,1-6H3,(H,24,26)
InChIKeyIFEXUHSLYFYRIF-UHFFFAOYSA-N
MW408.54 g/mol
LogP3.36
Rot. Bonds13

About 2-(4-acetyl-3-aminophenoxy)-N-[4-(1-methoxy-3-methylpentan-3-yl)oxy-2-methylbutan-2-yl]acetamide

2-(4-acetyl-3-aminophenoxy)-N-[4-(1-methoxy-3-methylpentan-3-yl)oxy-2-methylbutan-2-yl]acetamide (PubChem CID 89083104) has the molecular formula C22H36N2O5 and a molecular weight of 408.54 g/mol. Its IUPAC name is 2-(4-acetyl-3-aminophenoxy)-N-[4-(1-methoxy-3-methylpentan-3-yl)oxy-2-methylbutan-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-acetyl-3-aminophenoxy)-N-[4-(1-methoxy-3-methylpentan-3-yl)oxy-2-methylbutan-2-yl]acetamide
PubChem CID89083104
Molecular FormulaC22H36N2O5
Molecular Weight408.54 g/mol
Exact Mass408.26
IUPAC Name2-(4-acetyl-3-aminophenoxy)-N-[4-(1-methoxy-3-methylpentan-3-yl)oxy-2-methylbutan-2-yl]acetamide
SMILESCCC(C)(CCOC)OCCC(C)(C)NC(=O)COc1ccc(C(C)=O)c(N)c1
InChIInChI=1S/C22H36N2O5/c1-7-22(5,11-12-27-6)29-13-10-21(3,4)24-20(26)15-28-17-8-9-18(16(2)25)19(23)14-17/h8-9,14H,7,10-13,15,23H2,1-6H3,(H,24,26)
InChIKeyIFEXUHSLYFYRIF-UHFFFAOYSA-N
XLogP3.36
TPSA99.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.54
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-acetyl-3-aminophenoxy)-N-[2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butyl]acetamide
CID 91128464
2-(4-acetyl-3-aminophenoxy)-N-[2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]acetamide
CID 89083044
lithium;2-(4-acetyl-3-aminophenoxy)acetic acid;hydride
CID 173066135
2-(4-acetyl-3-ethylphenoxy)-N-[2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butyl]acetamide
CID 91200922
methyl 2-amino-4-(2-methoxyethoxy)benzoate
CID 166066284
1-[2-amino-4-[(4-methoxyphenyl)methoxy]phenyl]ethanone
CID 91863870
N-(2-methylbutan-2-yl)-2-(4-methylphenoxy)acetamide
CID 50944675
2-amino-4-[2-(carbamoylamino)-2-oxoethoxy]benzoic acid
CID 113497358
2-(4-fluorophenoxy)-N-(2-methylbutan-2-yl)acetamide
CID 47001155
2-[3-(2-aminopropyl)phenoxy]-N-(2-methylbutan-2-yl)acetamide
CID 61486419
1-[2-amino-4-(3,5-dimethoxyphenoxy)phenyl]ethanone
CID 104529311
1-[2-amino-5-methoxy-4-(2-methoxyethoxy)phenyl]ethanone
CID 10823895

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-3-aminophenoxy)-N-[4-(1-methoxy-3-methylpentan-3-yl)oxy-2-methylbutan-2-yl]acetamide?
The IUPAC name of 2-(4-acetyl-3-aminophenoxy)-N-[4-(1-methoxy-3-methylpentan-3-yl)oxy-2-methylbutan-2-yl]acetamide (CID 89083104) is 2-(4-acetyl-3-aminophenoxy)-N-[4-(1-methoxy-3-methylpentan-3-yl)oxy-2-methylbutan-2-yl]acetamide.
What is the SMILES notation for 2-(4-acetyl-3-aminophenoxy)-N-[4-(1-methoxy-3-methylpentan-3-yl)oxy-2-methylbutan-2-yl]acetamide?
The canonical SMILES for 2-(4-acetyl-3-aminophenoxy)-N-[4-(1-methoxy-3-methylpentan-3-yl)oxy-2-methylbutan-2-yl]acetamide is CCC(C)(CCOC)OCCC(C)(C)NC(=O)COc1ccc(C(C)=O)c(N)c1.
What is the InChIKey of 2-(4-acetyl-3-aminophenoxy)-N-[4-(1-methoxy-3-methylpentan-3-yl)oxy-2-methylbutan-2-yl]acetamide?
The InChIKey is IFEXUHSLYFYRIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N2O5/c1-7-22(5,11-12-27-6)29-13-10-21(3,4)24-20(26)15-28-17-8-9-18(16(2)25)19(23)14-17/h8-9,14H,7,10-13,15,23H2,1-6H3,(H,24,26).
What are the key properties of 2-(4-acetyl-3-aminophenoxy)-N-[4-(1-methoxy-3-methylpentan-3-yl)oxy-2-methylbutan-2-yl]acetamide?
2-(4-acetyl-3-aminophenoxy)-N-[4-(1-methoxy-3-methylpentan-3-yl)oxy-2-methylbutan-2-yl]acetamide has a molecular weight of 408.54 g/mol, XLogP of 3.36, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-3-aminophenoxy)-N-[4-(1-methoxy-3-methylpentan-3-yl)oxy-2-methylbutan-2-yl]acetamide is sourced from PubChem (CID 89083104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).