3-(4-aminophenoxy)-N-hexan-2-ylpropanamide

C15H24N2O2 — CID 62197862

IUPAC3-(4-aminophenoxy)-N-hexan-2-ylpropanamide
SMILESCCCCC(C)NC(=O)CCOc1ccc(N)cc1
InChIInChI=1S/C15H24N2O2/c1-3-4-5-12(2)17-15(18)10-11-19-14-8-6-13(16)7-9-14/h6-9,12H,3-5,10-11,16H2,1-2H3,(H,17,18)
InChIKeyTUXDMXFJELYOAN-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.73
Rot. Bonds8

About 3-(4-aminophenoxy)-N-hexan-2-ylpropanamide

3-(4-aminophenoxy)-N-hexan-2-ylpropanamide (PubChem CID 62197862) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-(4-aminophenoxy)-N-hexan-2-ylpropanamide.

Molecular Properties

Compound Name3-(4-aminophenoxy)-N-hexan-2-ylpropanamide
PubChem CID62197862
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name3-(4-aminophenoxy)-N-hexan-2-ylpropanamide
SMILESCCCCC(C)NC(=O)CCOc1ccc(N)cc1
InChIInChI=1S/C15H24N2O2/c1-3-4-5-12(2)17-15(18)10-11-19-14-8-6-13(16)7-9-14/h6-9,12H,3-5,10-11,16H2,1-2H3,(H,17,18)
InChIKeyTUXDMXFJELYOAN-UHFFFAOYSA-N
XLogP2.73
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(1-aminohexan-2-yl)-3-(4-fluorophenoxy)propanamide
CID 119665882
3-(3-aminophenoxy)-N-octan-4-ylpropanamide
CID 106021745
N-(1-aminopropan-2-yl)-3-(4-propan-2-ylphenoxy)propanamide
CID 110834337
2-(4-aminophenoxy)-N-(6-methylheptan-2-yl)acetamide
CID 61036016
3-(4-aminophenoxy)-N-(3-methylbutyl)propanamide
CID 61090650
3-(4-aminophenoxy)-N-(3-hydroxybutyl)propanamide
CID 64929581
4-[3-[[(2S)-5-methylhexan-2-yl]amino]-3-oxopropoxy]benzamide
CID 95972620
(2S)-2-[3-(4-fluorophenoxy)propanoylamino]hexanoic acid
CID 107144586
3-(4-aminophenoxy)-N-(4-hydroxy-2-methylbutyl)propanamide
CID 66089630
3-(4-aminophenoxy)-N-[2-(2-hydroxyethyl)pentyl]propanamide
CID 106113357
N-(4-hydroxybutan-2-yl)-3-phenoxypropanamide
CID 81042132
2-methylpentyl 3-(4-aminophenoxy)propanoate
CID 55055916

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenoxy)-N-hexan-2-ylpropanamide?
The IUPAC name of 3-(4-aminophenoxy)-N-hexan-2-ylpropanamide (CID 62197862) is 3-(4-aminophenoxy)-N-hexan-2-ylpropanamide.
What is the SMILES notation for 3-(4-aminophenoxy)-N-hexan-2-ylpropanamide?
The canonical SMILES for 3-(4-aminophenoxy)-N-hexan-2-ylpropanamide is CCCCC(C)NC(=O)CCOc1ccc(N)cc1.
What is the InChIKey of 3-(4-aminophenoxy)-N-hexan-2-ylpropanamide?
The InChIKey is TUXDMXFJELYOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-3-4-5-12(2)17-15(18)10-11-19-14-8-6-13(16)7-9-14/h6-9,12H,3-5,10-11,16H2,1-2H3,(H,17,18).
What are the key properties of 3-(4-aminophenoxy)-N-hexan-2-ylpropanamide?
3-(4-aminophenoxy)-N-hexan-2-ylpropanamide has a molecular weight of 264.37 g/mol, XLogP of 2.73, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenoxy)-N-hexan-2-ylpropanamide is sourced from PubChem (CID 62197862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).