2-(4-amino-5-methyl-2-propan-2-ylphenoxy)-N-(3-methylbutyl)acetamide

C17H28N2O2 — CID 65216681

IUPAC2-(4-amino-5-methyl-2-propan-2-ylphenoxy)-N-(3-methylbutyl)acetamide
SMILESCc1cc(OCC(=O)NCCC(C)C)c(C(C)C)cc1N
InChIInChI=1S/C17H28N2O2/c1-11(2)6-7-19-17(20)10-21-16-8-13(5)15(18)9-14(16)12(3)4/h8-9,11-12H,6-7,10,18H2,1-5H3,(H,19,20)
InChIKeyOCSXSFSLLOCJFC-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.24
Rot. Bonds7

About 2-(4-amino-5-methyl-2-propan-2-ylphenoxy)-N-(3-methylbutyl)acetamide

2-(4-amino-5-methyl-2-propan-2-ylphenoxy)-N-(3-methylbutyl)acetamide (PubChem CID 65216681) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-(4-amino-5-methyl-2-propan-2-ylphenoxy)-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-(4-amino-5-methyl-2-propan-2-ylphenoxy)-N-(3-methylbutyl)acetamide
PubChem CID65216681
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name2-(4-amino-5-methyl-2-propan-2-ylphenoxy)-N-(3-methylbutyl)acetamide
SMILESCc1cc(OCC(=O)NCCC(C)C)c(C(C)C)cc1N
InChIInChI=1S/C17H28N2O2/c1-11(2)6-7-19-17(20)10-21-16-8-13(5)15(18)9-14(16)12(3)4/h8-9,11-12H,6-7,10,18H2,1-5H3,(H,19,20)
InChIKeyOCSXSFSLLOCJFC-UHFFFAOYSA-N
XLogP3.24
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-bromo-2-propan-2-ylphenoxy)-N-(3-methylbutyl)acetamide
CID 115401978
2-(2-amino-4-chlorophenoxy)-N-(3-methylbutyl)acetamide
CID 54957202
2-[2-[(1R)-1-aminoethyl]-5-bromophenoxy]-N-(3-methylbutyl)acetamide
CID 102946796
2-(3-amino-2,6-dimethylphenoxy)-N-(3-methylbutyl)acetamide
CID 62017198
2-[2-(1-aminoethyl)-4-methylphenoxy]-N-(3-methylbutyl)acetamide
CID 61486605
2-(4-amino-5-methyl-2-propan-2-ylphenoxy)-N-ethyl-N-methylacetamide
CID 65216731
N-(3-methylbutyl)-2-(2-methyl-4-sulfamoylphenoxy)acetamide
CID 82910962
3-methyl-4-[2-(3-methylbutylamino)-2-oxoethoxy]benzenesulfonyl chloride
CID 82911319
2-(5-amino-2,4-dimethylphenoxy)-N-propylacetamide
CID 114088084
2-(3,4-dimethylphenoxy)-N-(3-methylbutyl)acetamide
CID 21368057
2-[4-bromo-2-[(1S)-1-hydroxyethyl]phenoxy]-N-(3-methylbutyl)acetamide
CID 63365838
2-(3,5-dimethylphenoxy)-N-(3-methylbutyl)acetamide
CID 60624673

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-5-methyl-2-propan-2-ylphenoxy)-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-(4-amino-5-methyl-2-propan-2-ylphenoxy)-N-(3-methylbutyl)acetamide (CID 65216681) is 2-(4-amino-5-methyl-2-propan-2-ylphenoxy)-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-(4-amino-5-methyl-2-propan-2-ylphenoxy)-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-(4-amino-5-methyl-2-propan-2-ylphenoxy)-N-(3-methylbutyl)acetamide is Cc1cc(OCC(=O)NCCC(C)C)c(C(C)C)cc1N.
What is the InChIKey of 2-(4-amino-5-methyl-2-propan-2-ylphenoxy)-N-(3-methylbutyl)acetamide?
The InChIKey is OCSXSFSLLOCJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-11(2)6-7-19-17(20)10-21-16-8-13(5)15(18)9-14(16)12(3)4/h8-9,11-12H,6-7,10,18H2,1-5H3,(H,19,20).
What are the key properties of 2-(4-amino-5-methyl-2-propan-2-ylphenoxy)-N-(3-methylbutyl)acetamide?
2-(4-amino-5-methyl-2-propan-2-ylphenoxy)-N-(3-methylbutyl)acetamide has a molecular weight of 292.42 g/mol, XLogP of 3.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-5-methyl-2-propan-2-ylphenoxy)-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 65216681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).