2-[3-(octylamino)phenoxy]acetamide

C16H26N2O2 — CID 43720155

IUPAC2-[3-(octylamino)phenoxy]acetamide
SMILESCCCCCCCCNc1cccc(OCC(N)=O)c1
InChIInChI=1S/C16H26N2O2/c1-2-3-4-5-6-7-11-18-14-9-8-10-15(12-14)20-13-16(17)19/h8-10,12,18H,2-7,11,13H2,1H3,(H2,17,19)
InChIKeyZULYJWDJRQQTAC-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.32
Rot. Bonds11

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

2-[3-(octylamino)phenoxy]acetamide (PubChem CID 43720155) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[3-(octylamino)phenoxy]acetamide.

Molecular Properties

Compound Name2-[3-(octylamino)phenoxy]acetamide
PubChem CID43720155
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-[3-(octylamino)phenoxy]acetamide
SMILESCCCCCCCCNc1cccc(OCC(N)=O)c1
InChIInChI=1S/C16H26N2O2/c1-2-3-4-5-6-7-11-18-14-9-8-10-15(12-14)20-13-16(17)19/h8-10,12,18H,2-7,11,13H2,1H3,(H2,17,19)
InChIKeyZULYJWDJRQQTAC-UHFFFAOYSA-N
XLogP3.32
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.32
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

N-methyl-2-[3-(octylamino)phenoxy]acetamide
CID 43693355
3-butoxy-N-octylaniline
CID 54800685
N-hexyl-3-(2-methoxyethoxy)aniline
CID 54803081
N-hexyl-3-methoxyaniline
CID 15500485
2-[3-(2-phenylethylamino)phenoxy]acetamide
CID 43720190
2-[3-(2-methylpropylamino)phenoxy]acetamide
CID 43720195
2-[3-[(2-ethylphenyl)methylamino]phenoxy]acetamide
CID 62391235
3-(difluoromethoxy)-N-hexylaniline
CID 43698714
(2S)-2-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]hexanamide
CID 103831187
3-[2-(dimethylamino)ethoxy]-N-heptylaniline
CID 43720868
N-hexyl-3-(3-methylbutoxy)aniline
CID 54800922
N-heptyl-3-phenoxyaniline
CID 63455448

Frequently Asked Questions

What is the IUPAC name of 2-[3-(octylamino)phenoxy]acetamide?
The IUPAC name of 2-[3-(octylamino)phenoxy]acetamide (CID 43720155) is 2-[3-(octylamino)phenoxy]acetamide.
What is the SMILES notation for 2-[3-(octylamino)phenoxy]acetamide?
The canonical SMILES for 2-[3-(octylamino)phenoxy]acetamide is CCCCCCCCNc1cccc(OCC(N)=O)c1.
What is the InChIKey of 2-[3-(octylamino)phenoxy]acetamide?
The InChIKey is ZULYJWDJRQQTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-2-3-4-5-6-7-11-18-14-9-8-10-15(12-14)20-13-16(17)19/h8-10,12,18H,2-7,11,13H2,1H3,(H2,17,19).
What are the key properties of 2-[3-(octylamino)phenoxy]acetamide?
2-[3-(octylamino)phenoxy]acetamide has a molecular weight of 278.40 g/mol, XLogP of 3.32, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(octylamino)phenoxy]acetamide is sourced from PubChem (CID 43720155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).