3-(2-phenoxyethylamino)pentan-2-one

C13H19NO2 — CID 173170118

IUPAC3-(2-phenoxyethylamino)pentan-2-one
SMILESCCC(NCCOc1ccccc1)C(C)=O
InChIInChI=1S/C13H19NO2/c1-3-13(11(2)15)14-9-10-16-12-7-5-4-6-8-12/h4-8,13-14H,3,9-10H2,1-2H3
InChIKeyNSXGFOQYCPBOGO-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.02
Rot. Bonds7

About 3-(2-phenoxyethylamino)pentan-2-one

3-(2-phenoxyethylamino)pentan-2-one (PubChem CID 173170118) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-(2-phenoxyethylamino)pentan-2-one.

Molecular Properties

Compound Name3-(2-phenoxyethylamino)pentan-2-one
PubChem CID173170118
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name3-(2-phenoxyethylamino)pentan-2-one
SMILESCCC(NCCOc1ccccc1)C(C)=O
InChIInChI=1S/C13H19NO2/c1-3-13(11(2)15)14-9-10-16-12-7-5-4-6-8-12/h4-8,13-14H,3,9-10H2,1-2H3
InChIKeyNSXGFOQYCPBOGO-UHFFFAOYSA-N
XLogP2.02
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-3-(2-phenoxyethylamino)butanoic acid
CID 79391971
N-[2-(4-phenoxyphenoxy)ethyl]butan-2-amine
CID 63504622
N-pentyl-2-(2-phenoxyethylamino)propanamide
CID 60720089
acetic acid;butoxybenzene
CID 162338086
2-(3-phenoxypropylamino)-N-propylpropanamide
CID 60695598
2-[(2-methyl-4-phenoxybutanoyl)amino]butanoic acid
CID 119224246
3-methyl-N-(2-phenoxyethyl)-2-phenylpentanamide
CID 112794606
3-(3-phenoxypropyl)pentane-2,4-dione
CID 30842809
N-(2-phenoxyethyl)-2-sulfanylpropanamide
CID 107026809
2-bromo-N-(2-phenoxyethyl)propanamide
CID 82108617
2-acetamido-3-(3-phenoxypropylamino)propanoic acid
CID 64580883
1-(1-hydroxybutan-2-yl)-3-(2-phenoxyethyl)urea
CID 75816995

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenoxyethylamino)pentan-2-one?
The IUPAC name of 3-(2-phenoxyethylamino)pentan-2-one (CID 173170118) is 3-(2-phenoxyethylamino)pentan-2-one.
What is the SMILES notation for 3-(2-phenoxyethylamino)pentan-2-one?
The canonical SMILES for 3-(2-phenoxyethylamino)pentan-2-one is CCC(NCCOc1ccccc1)C(C)=O.
What is the InChIKey of 3-(2-phenoxyethylamino)pentan-2-one?
The InChIKey is NSXGFOQYCPBOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-3-13(11(2)15)14-9-10-16-12-7-5-4-6-8-12/h4-8,13-14H,3,9-10H2,1-2H3.
What are the key properties of 3-(2-phenoxyethylamino)pentan-2-one?
3-(2-phenoxyethylamino)pentan-2-one has a molecular weight of 221.30 g/mol, XLogP of 2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenoxyethylamino)pentan-2-one is sourced from PubChem (CID 173170118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).