6-[3-hydroxypropyl(2-naphthalen-1-ylethyl)amino]-N-(oxan-2-yloxy)hexanamide

C26H38N2O4 — CID 142707528

IUPAC6-[3-hydroxypropyl(2-naphthalen-1-ylethyl)amino]-N-(oxan-2-yloxy)hexanamide
SMILESO=C(CCCCCN(CCCO)CCc1cccc2ccccc12)NOC1CCCCO1
InChIInChI=1S/C26H38N2O4/c29-20-9-18-28(19-16-23-12-8-11-22-10-3-4-13-24(22)23)17-6-1-2-14-25(30)27-32-26-15-5-7-21-31-26/h3-4,8,10-13,26,29H,1-2,5-7,9,14-21H2,(H,27,30)
InChIKeyFGKXZXJZUIPTSN-UHFFFAOYSA-N
MW442.60 g/mol
LogP4.20
Rot. Bonds14

About 6-[3-hydroxypropyl(2-naphthalen-1-ylethyl)amino]-N-(oxan-2-yloxy)hexanamide

6-[3-hydroxypropyl(2-naphthalen-1-ylethyl)amino]-N-(oxan-2-yloxy)hexanamide (PubChem CID 142707528) has the molecular formula C26H38N2O4 and a molecular weight of 442.60 g/mol. Its IUPAC name is 6-[3-hydroxypropyl(2-naphthalen-1-ylethyl)amino]-N-(oxan-2-yloxy)hexanamide.

Molecular Properties

Compound Name6-[3-hydroxypropyl(2-naphthalen-1-ylethyl)amino]-N-(oxan-2-yloxy)hexanamide
PubChem CID142707528
Molecular FormulaC26H38N2O4
Molecular Weight442.60 g/mol
Exact Mass442.28
IUPAC Name6-[3-hydroxypropyl(2-naphthalen-1-ylethyl)amino]-N-(oxan-2-yloxy)hexanamide
SMILESO=C(CCCCCN(CCCO)CCc1cccc2ccccc12)NOC1CCCCO1
InChIInChI=1S/C26H38N2O4/c29-20-9-18-28(19-16-23-12-8-11-22-10-3-4-13-24(22)23)17-6-1-2-14-25(30)27-32-26-15-5-7-21-31-26/h3-4,8,10-13,26,29H,1-2,5-7,9,14-21H2,(H,27,30)
InChIKeyFGKXZXJZUIPTSN-UHFFFAOYSA-N
XLogP4.20
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.60
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[3-hydroxypropyl(2-naphthalen-1-ylethyl)amino]-N-(oxan-2-yloxy)hexanamide?
The IUPAC name of 6-[3-hydroxypropyl(2-naphthalen-1-ylethyl)amino]-N-(oxan-2-yloxy)hexanamide (CID 142707528) is 6-[3-hydroxypropyl(2-naphthalen-1-ylethyl)amino]-N-(oxan-2-yloxy)hexanamide.
What is the SMILES notation for 6-[3-hydroxypropyl(2-naphthalen-1-ylethyl)amino]-N-(oxan-2-yloxy)hexanamide?
The canonical SMILES for 6-[3-hydroxypropyl(2-naphthalen-1-ylethyl)amino]-N-(oxan-2-yloxy)hexanamide is O=C(CCCCCN(CCCO)CCc1cccc2ccccc12)NOC1CCCCO1.
What is the InChIKey of 6-[3-hydroxypropyl(2-naphthalen-1-ylethyl)amino]-N-(oxan-2-yloxy)hexanamide?
The InChIKey is FGKXZXJZUIPTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N2O4/c29-20-9-18-28(19-16-23-12-8-11-22-10-3-4-13-24(22)23)17-6-1-2-14-25(30)27-32-26-15-5-7-21-31-26/h3-4,8,10-13,26,29H,1-2,5-7,9,14-21H2,(H,27,30).
What are the key properties of 6-[3-hydroxypropyl(2-naphthalen-1-ylethyl)amino]-N-(oxan-2-yloxy)hexanamide?
6-[3-hydroxypropyl(2-naphthalen-1-ylethyl)amino]-N-(oxan-2-yloxy)hexanamide has a molecular weight of 442.60 g/mol, XLogP of 4.20, 14 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-hydroxypropyl(2-naphthalen-1-ylethyl)amino]-N-(oxan-2-yloxy)hexanamide is sourced from PubChem (CID 142707528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).