3-[(5-hydroxynaphthalen-1-yl)amino]propyl acetate

C15H17NO3 — CID 70579260

IUPAC3-[(5-hydroxynaphthalen-1-yl)amino]propyl acetate
SMILESCC(=O)OCCCNc1cccc2c(O)cccc12
InChIInChI=1S/C15H17NO3/c1-11(17)19-10-4-9-16-14-7-2-6-13-12(14)5-3-8-15(13)18/h2-3,5-8,16,18H,4,9-10H2,1H3
InChIKeyAVLUIXIPKLXDEU-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.91
Rot. Bonds5

About 3-[(5-hydroxynaphthalen-1-yl)amino]propyl acetate

3-[(5-hydroxynaphthalen-1-yl)amino]propyl acetate (PubChem CID 70579260) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-[(5-hydroxynaphthalen-1-yl)amino]propyl acetate.

Molecular Properties

Compound Name3-[(5-hydroxynaphthalen-1-yl)amino]propyl acetate
PubChem CID70579260
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name3-[(5-hydroxynaphthalen-1-yl)amino]propyl acetate
SMILESCC(=O)OCCCNc1cccc2c(O)cccc12
InChIInChI=1S/C15H17NO3/c1-11(17)19-10-4-9-16-14-7-2-6-13-12(14)5-3-8-15(13)18/h2-3,5-8,16,18H,4,9-10H2,1H3
InChIKeyAVLUIXIPKLXDEU-UHFFFAOYSA-N
XLogP2.91
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-hydroxynaphthalen-1-yl)amino]propyl acetate?
The IUPAC name of 3-[(5-hydroxynaphthalen-1-yl)amino]propyl acetate (CID 70579260) is 3-[(5-hydroxynaphthalen-1-yl)amino]propyl acetate.
What is the SMILES notation for 3-[(5-hydroxynaphthalen-1-yl)amino]propyl acetate?
The canonical SMILES for 3-[(5-hydroxynaphthalen-1-yl)amino]propyl acetate is CC(=O)OCCCNc1cccc2c(O)cccc12.
What is the InChIKey of 3-[(5-hydroxynaphthalen-1-yl)amino]propyl acetate?
The InChIKey is AVLUIXIPKLXDEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-11(17)19-10-4-9-16-14-7-2-6-13-12(14)5-3-8-15(13)18/h2-3,5-8,16,18H,4,9-10H2,1H3.
What are the key properties of 3-[(5-hydroxynaphthalen-1-yl)amino]propyl acetate?
3-[(5-hydroxynaphthalen-1-yl)amino]propyl acetate has a molecular weight of 259.31 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-hydroxynaphthalen-1-yl)amino]propyl acetate is sourced from PubChem (CID 70579260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).