N-(4-hydroxybutyl)-1,2-dihydroacenaphthylene-5-carboxamide

C17H19NO2 — CID 2230087

IUPACN-(4-hydroxybutyl)-1,2-dihydroacenaphthylene-5-carboxamide
SMILESO=C(NCCCCO)c1ccc2c3c(cccc13)CC2
InChIInChI=1S/C17H19NO2/c19-11-2-1-10-18-17(20)15-9-8-13-7-6-12-4-3-5-14(15)16(12)13/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,18,20)
InChIKeyIGZPULHXBMLGER-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.44
Rot. Bonds5

About N-(4-hydroxybutyl)-1,2-dihydroacenaphthylene-5-carboxamide

N-(4-hydroxybutyl)-1,2-dihydroacenaphthylene-5-carboxamide (PubChem CID 2230087) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is N-(4-hydroxybutyl)-1,2-dihydroacenaphthylene-5-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxybutyl)-1,2-dihydroacenaphthylene-5-carboxamide
PubChem CID2230087
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC NameN-(4-hydroxybutyl)-1,2-dihydroacenaphthylene-5-carboxamide
SMILESO=C(NCCCCO)c1ccc2c3c(cccc13)CC2
InChIInChI=1S/C17H19NO2/c19-11-2-1-10-18-17(20)15-9-8-13-7-6-12-4-3-5-14(15)16(12)13/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,18,20)
InChIKeyIGZPULHXBMLGER-UHFFFAOYSA-N
XLogP2.44
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 N-(4-hydroxybutyl)-1,2-dihydroacenaphthylene-5-carboxamide?
The IUPAC name of N-(4-hydroxybutyl)-1,2-dihydroacenaphthylene-5-carboxamide (CID 2230087) is N-(4-hydroxybutyl)-1,2-dihydroacenaphthylene-5-carboxamide.
What is the SMILES notation for N-(4-hydroxybutyl)-1,2-dihydroacenaphthylene-5-carboxamide?
The canonical SMILES for N-(4-hydroxybutyl)-1,2-dihydroacenaphthylene-5-carboxamide is O=C(NCCCCO)c1ccc2c3c(cccc13)CC2.
What is the InChIKey of N-(4-hydroxybutyl)-1,2-dihydroacenaphthylene-5-carboxamide?
The InChIKey is IGZPULHXBMLGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c19-11-2-1-10-18-17(20)15-9-8-13-7-6-12-4-3-5-14(15)16(12)13/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,18,20).
What are the key properties of N-(4-hydroxybutyl)-1,2-dihydroacenaphthylene-5-carboxamide?
N-(4-hydroxybutyl)-1,2-dihydroacenaphthylene-5-carboxamide has a molecular weight of 269.34 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxybutyl)-1,2-dihydroacenaphthylene-5-carboxamide is sourced from PubChem (CID 2230087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).