2-(4-acetyl-3-aminophenoxy)-N-[2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butyl]acetamide

C21H34N2O5 — CID 91128464

IUPAC2-(4-acetyl-3-aminophenoxy)-N-[2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butyl]acetamide
SMILESCCC(C)(CNC(=O)COc1ccc(C(C)=O)c(N)c1)OCCOC(C)(C)C
InChIInChI=1S/C21H34N2O5/c1-7-21(6,28-11-10-27-20(3,4)5)14-23-19(25)13-26-16-8-9-17(15(2)24)18(22)12-16/h8-9,12H,7,10-11,13-14,22H2,1-6H3,(H,23,25)
InChIKeyUKTQYINSUGISGI-UHFFFAOYSA-N
MW394.51 g/mol
LogP2.97
Rot. Bonds11

About 2-(4-acetyl-3-aminophenoxy)-N-[2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butyl]acetamide

2-(4-acetyl-3-aminophenoxy)-N-[2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butyl]acetamide (PubChem CID 91128464) has the molecular formula C21H34N2O5 and a molecular weight of 394.51 g/mol. Its IUPAC name is 2-(4-acetyl-3-aminophenoxy)-N-[2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butyl]acetamide.

Molecular Properties

Compound Name2-(4-acetyl-3-aminophenoxy)-N-[2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butyl]acetamide
PubChem CID91128464
Molecular FormulaC21H34N2O5
Molecular Weight394.51 g/mol
Exact Mass394.25
IUPAC Name2-(4-acetyl-3-aminophenoxy)-N-[2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butyl]acetamide
SMILESCCC(C)(CNC(=O)COc1ccc(C(C)=O)c(N)c1)OCCOC(C)(C)C
InChIInChI=1S/C21H34N2O5/c1-7-21(6,28-11-10-27-20(3,4)5)14-23-19(25)13-26-16-8-9-17(15(2)24)18(22)12-16/h8-9,12H,7,10-11,13-14,22H2,1-6H3,(H,23,25)
InChIKeyUKTQYINSUGISGI-UHFFFAOYSA-N
XLogP2.97
TPSA99.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.51
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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]propyl]acetamide
CID 89083044
2-(4-acetyl-3-ethylphenoxy)-N-[2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butyl]acetamide
CID 91200922
2-(4-acetyl-3-aminophenoxy)-N-[4-(1-methoxy-3-methylpentan-3-yl)oxy-2-methylbutan-2-yl]acetamide
CID 89083104
lithium;2-(4-acetyl-3-aminophenoxy)acetic acid;hydride
CID 173066135
2-[(2-methylpropan-2-yl)oxy]ethyl 2-amino-4-methoxybenzoate
CID 112686980
2-(4-aminophenoxy)-N-(2,2-dimethylpropyl)acetamide
CID 61168038
2-amino-4-[2-(carbamoylamino)-2-oxoethoxy]benzoic acid
CID 113497358
N-(2-amino-2-ethylbutyl)-2-naphthalen-2-yloxyacetamide
CID 119639639
2-(3-aminophenoxy)-N-(2,2-dimethylbutyl)acetamide
CID 103459940
1-[4-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanone
CID 112687479
tert-butyl 2-[3-amino-4-(methylamino)phenoxy]acetate
CID 171627438
N-(2-hydroxy-2,3-dimethylbutyl)-2-naphthalen-2-yloxyacetamide
CID 111483554

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-3-aminophenoxy)-N-[2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butyl]acetamide?
The IUPAC name of 2-(4-acetyl-3-aminophenoxy)-N-[2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butyl]acetamide (CID 91128464) is 2-(4-acetyl-3-aminophenoxy)-N-[2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butyl]acetamide.
What is the SMILES notation for 2-(4-acetyl-3-aminophenoxy)-N-[2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butyl]acetamide?
The canonical SMILES for 2-(4-acetyl-3-aminophenoxy)-N-[2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butyl]acetamide is CCC(C)(CNC(=O)COc1ccc(C(C)=O)c(N)c1)OCCOC(C)(C)C.
What is the InChIKey of 2-(4-acetyl-3-aminophenoxy)-N-[2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butyl]acetamide?
The InChIKey is UKTQYINSUGISGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O5/c1-7-21(6,28-11-10-27-20(3,4)5)14-23-19(25)13-26-16-8-9-17(15(2)24)18(22)12-16/h8-9,12H,7,10-11,13-14,22H2,1-6H3,(H,23,25).
What are the key properties of 2-(4-acetyl-3-aminophenoxy)-N-[2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butyl]acetamide?
2-(4-acetyl-3-aminophenoxy)-N-[2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butyl]acetamide has a molecular weight of 394.51 g/mol, XLogP of 2.97, 11 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-[2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butyl]acetamide is sourced from PubChem (CID 91128464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).