2-[2-(3-hexoxyphenyl)ethylamino]-N-methylacetamide

C17H28N2O2 — CID 25165875

IUPAC2-[2-(3-hexoxyphenyl)ethylamino]-N-methylacetamide
SMILESCCCCCCOc1cccc(CCNCC(=O)NC)c1
InChIInChI=1S/C17H28N2O2/c1-3-4-5-6-12-21-16-9-7-8-15(13-16)10-11-19-14-17(20)18-2/h7-9,13,19H,3-6,10-12,14H2,1-2H3,(H,18,20)
InChIKeyKLLQFKQTBQDXET-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.52
Rot. Bonds11

About 2-[2-(3-hexoxyphenyl)ethylamino]-N-methylacetamide

2-[2-(3-hexoxyphenyl)ethylamino]-N-methylacetamide (PubChem CID 25165875) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-[2-(3-hexoxyphenyl)ethylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[2-(3-hexoxyphenyl)ethylamino]-N-methylacetamide
PubChem CID25165875
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name2-[2-(3-hexoxyphenyl)ethylamino]-N-methylacetamide
SMILESCCCCCCOc1cccc(CCNCC(=O)NC)c1
InChIInChI=1S/C17H28N2O2/c1-3-4-5-6-12-21-16-9-7-8-15(13-16)10-11-19-14-17(20)18-2/h7-9,13,19H,3-6,10-12,14H2,1-2H3,(H,18,20)
InChIKeyKLLQFKQTBQDXET-UHFFFAOYSA-N
XLogP2.52
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 ≤ 52.52
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

3-[2-(3-hexoxyphenyl)ethylamino]propanoic acid
CID 23121635
3-[2-(3-decoxyphenyl)ethylamino]propanoic acid
CID 23121759
N-methyl-5-(3-propylphenoxy)pentanamide
CID 173258739
3-[2-(3-nonoxyphenyl)ethylamino]propanoic acid;2,2,2-trifluoroacetic acid
CID 66853279
3-[2-(3-pentoxyphenyl)ethylamino]propanoic acid;2,2,2-trifluoroacetic acid
CID 23121382
2-(3-octoxyphenyl)ethanol
CID 141227544
(2,2,2-trifluoroacetyl) 3-[2-(3-nonoxyphenyl)ethylamino]propanoate
CID 87180101
N-[[2-(3-butoxyphenyl)ethylamino]methyl]acetamide;hydrochloride
CID 141361844
N-[2-[2-(3-butoxyphenyl)ethylamino]ethyl]-N-ethylacetamide;hydrochloride
CID 141361840
N-[(3-pentoxyphenyl)methyl]hexadecan-1-amine
CID 54847860
3-(3-ethylphenoxy)-N-methylpropanamide
CID 64763281
2-(3-octoxyphenyl)acetic acid
CID 11975056

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-hexoxyphenyl)ethylamino]-N-methylacetamide?
The IUPAC name of 2-[2-(3-hexoxyphenyl)ethylamino]-N-methylacetamide (CID 25165875) is 2-[2-(3-hexoxyphenyl)ethylamino]-N-methylacetamide.
What is the SMILES notation for 2-[2-(3-hexoxyphenyl)ethylamino]-N-methylacetamide?
The canonical SMILES for 2-[2-(3-hexoxyphenyl)ethylamino]-N-methylacetamide is CCCCCCOc1cccc(CCNCC(=O)NC)c1.
What is the InChIKey of 2-[2-(3-hexoxyphenyl)ethylamino]-N-methylacetamide?
The InChIKey is KLLQFKQTBQDXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-3-4-5-6-12-21-16-9-7-8-15(13-16)10-11-19-14-17(20)18-2/h7-9,13,19H,3-6,10-12,14H2,1-2H3,(H,18,20).
What are the key properties of 2-[2-(3-hexoxyphenyl)ethylamino]-N-methylacetamide?
2-[2-(3-hexoxyphenyl)ethylamino]-N-methylacetamide has a molecular weight of 292.42 g/mol, XLogP of 2.52, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-hexoxyphenyl)ethylamino]-N-methylacetamide is sourced from PubChem (CID 25165875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).