N-methyl-2-[3-(octylamino)phenoxy]acetamide

C17H28N2O2 — CID 43693355

IUPACN-methyl-2-[3-(octylamino)phenoxy]acetamide
SMILESCCCCCCCCNc1cccc(OCC(=O)NC)c1
InChIInChI=1S/C17H28N2O2/c1-3-4-5-6-7-8-12-19-15-10-9-11-16(13-15)21-14-17(20)18-2/h9-11,13,19H,3-8,12,14H2,1-2H3,(H,18,20)
InChIKeyYBUKBYLBFVCICR-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.58
Rot. Bonds11

About N-methyl-2-[3-(octylamino)phenoxy]acetamide

N-methyl-2-[3-(octylamino)phenoxy]acetamide (PubChem CID 43693355) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is N-methyl-2-[3-(octylamino)phenoxy]acetamide.

Molecular Properties

Compound NameN-methyl-2-[3-(octylamino)phenoxy]acetamide
PubChem CID43693355
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC NameN-methyl-2-[3-(octylamino)phenoxy]acetamide
SMILESCCCCCCCCNc1cccc(OCC(=O)NC)c1
InChIInChI=1S/C17H28N2O2/c1-3-4-5-6-7-8-12-19-15-10-9-11-16(13-15)21-14-17(20)18-2/h9-11,13,19H,3-8,12,14H2,1-2H3,(H,18,20)
InChIKeyYBUKBYLBFVCICR-UHFFFAOYSA-N
XLogP3.58
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(octylamino)phenoxy]acetamide
CID 43720155
N-methyl-2-[3-(4-methylsulfanylbutylamino)phenoxy]acetamide
CID 103087507
3-butoxy-N-octylaniline
CID 54800685
2-[3-(butylcarbamoylamino)phenoxy]-N-methylacetamide
CID 47202622
N-hexyl-3-(2-methoxyethoxy)aniline
CID 54803081
N-methyl-2-[3-(2-methylpentylamino)phenoxy]acetamide
CID 43693343
N-hexyl-3-methoxyaniline
CID 15500485
N-methyl-2-[3-(2-methylbutylamino)phenoxy]acetamide
CID 43693352
2-amino-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]acetamide
CID 43705402
3-(difluoromethoxy)-N-hexylaniline
CID 43698714
2-[3-[(5-ethylfuran-2-yl)methylamino]phenoxy]-N-methylacetamide
CID 62346867
2-(3-methoxyphenoxy)-N-pentylacetamide
CID 19204008

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[3-(octylamino)phenoxy]acetamide?
The IUPAC name of N-methyl-2-[3-(octylamino)phenoxy]acetamide (CID 43693355) is N-methyl-2-[3-(octylamino)phenoxy]acetamide.
What is the SMILES notation for N-methyl-2-[3-(octylamino)phenoxy]acetamide?
The canonical SMILES for N-methyl-2-[3-(octylamino)phenoxy]acetamide is CCCCCCCCNc1cccc(OCC(=O)NC)c1.
What is the InChIKey of N-methyl-2-[3-(octylamino)phenoxy]acetamide?
The InChIKey is YBUKBYLBFVCICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-3-4-5-6-7-8-12-19-15-10-9-11-16(13-15)21-14-17(20)18-2/h9-11,13,19H,3-8,12,14H2,1-2H3,(H,18,20).
What are the key properties of N-methyl-2-[3-(octylamino)phenoxy]acetamide?
N-methyl-2-[3-(octylamino)phenoxy]acetamide has a molecular weight of 292.42 g/mol, XLogP of 3.58, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[3-(octylamino)phenoxy]acetamide is sourced from PubChem (CID 43693355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).