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

C20H32N2O5 — CID 89083044

IUPAC2-(4-acetyl-3-aminophenoxy)-N-[2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]acetamide
SMILESCC(=O)c1ccc(OCC(=O)NCC(C)(C)OCCOC(C)(C)C)cc1N
InChIInChI=1S/C20H32N2O5/c1-14(23)16-8-7-15(11-17(16)21)25-12-18(24)22-13-20(5,6)27-10-9-26-19(2,3)4/h7-8,11H,9-10,12-13,21H2,1-6H3,(H,22,24)
InChIKeyCDKGULZTLDFYJS-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.58
Rot. Bonds10

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

2-(4-acetyl-3-aminophenoxy)-N-[2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]acetamide (PubChem CID 89083044) has the molecular formula C20H32N2O5 and a molecular weight of 380.49 g/mol. Its IUPAC name is 2-(4-acetyl-3-aminophenoxy)-N-[2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]acetamide.

Molecular Properties

Compound Name2-(4-acetyl-3-aminophenoxy)-N-[2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]acetamide
PubChem CID89083044
Molecular FormulaC20H32N2O5
Molecular Weight380.49 g/mol
Exact Mass380.23
IUPAC Name2-(4-acetyl-3-aminophenoxy)-N-[2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]acetamide
SMILESCC(=O)c1ccc(OCC(=O)NCC(C)(C)OCCOC(C)(C)C)cc1N
InChIInChI=1S/C20H32N2O5/c1-14(23)16-8-7-15(11-17(16)21)25-12-18(24)22-13-20(5,6)27-10-9-26-19(2,3)4/h7-8,11H,9-10,12-13,21H2,1-6H3,(H,22,24)
InChIKeyCDKGULZTLDFYJS-UHFFFAOYSA-N
XLogP2.58
TPSA99.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.58
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'}

Analyze 2-(4-acetyl-3-aminophenoxy)-N-[2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-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
1-[4-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanone
CID 112687479
1-[2-amino-4-[(4-methoxyphenyl)methoxy]phenyl]ethanone
CID 91863870
N-(2-amino-2-ethylbutyl)-2-naphthalen-2-yloxyacetamide
CID 119639639
N-[2-(4-aminophenoxy)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112601847
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-naphthalen-2-yloxyacetamide
CID 71787198

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]propyl]acetamide?
The IUPAC name of 2-(4-acetyl-3-aminophenoxy)-N-[2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]acetamide (CID 89083044) is 2-(4-acetyl-3-aminophenoxy)-N-[2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]acetamide.
What is the SMILES notation for 2-(4-acetyl-3-aminophenoxy)-N-[2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]acetamide?
The canonical SMILES for 2-(4-acetyl-3-aminophenoxy)-N-[2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]acetamide is CC(=O)c1ccc(OCC(=O)NCC(C)(C)OCCOC(C)(C)C)cc1N.
What is the InChIKey of 2-(4-acetyl-3-aminophenoxy)-N-[2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]acetamide?
The InChIKey is CDKGULZTLDFYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O5/c1-14(23)16-8-7-15(11-17(16)21)25-12-18(24)22-13-20(5,6)27-10-9-26-19(2,3)4/h7-8,11H,9-10,12-13,21H2,1-6H3,(H,22,24).
What are the key properties of 2-(4-acetyl-3-aminophenoxy)-N-[2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]acetamide?
2-(4-acetyl-3-aminophenoxy)-N-[2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]acetamide has a molecular weight of 380.49 g/mol, XLogP of 2.58, 10 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]propyl]acetamide is sourced from PubChem (CID 89083044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).