N-[3-[5-(6-cyclopentyloxynaphthalen-1-yl)-1,3-dioxan-2-yl]propyl]acetamide

C24H31NO4 — CID 53319197

IUPACN-[3-[5-(6-cyclopentyloxynaphthalen-1-yl)-1,3-dioxan-2-yl]propyl]acetamide
SMILESCC(=O)NCCCC1OCC(c2cccc3cc(OC4CCCC4)ccc23)CO1
InChIInChI=1S/C24H31NO4/c1-17(26)25-13-5-10-24-27-15-19(16-28-24)22-9-4-6-18-14-21(11-12-23(18)22)29-20-7-2-3-8-20/h4,6,9,11-12,14,19-20,24H,2-3,5,7-8,10,13,15-16H2,1H3,(H,25,26)
InChIKeyMDYGHNYHSCHWJW-UHFFFAOYSA-N
MW397.52 g/mol
LogP4.53
Rot. Bonds7

About N-[3-[5-(6-cyclopentyloxynaphthalen-1-yl)-1,3-dioxan-2-yl]propyl]acetamide

N-[3-[5-(6-cyclopentyloxynaphthalen-1-yl)-1,3-dioxan-2-yl]propyl]acetamide (PubChem CID 53319197) has the molecular formula C24H31NO4 and a molecular weight of 397.52 g/mol. Its IUPAC name is N-[3-[5-(6-cyclopentyloxynaphthalen-1-yl)-1,3-dioxan-2-yl]propyl]acetamide.

Molecular Properties

Compound NameN-[3-[5-(6-cyclopentyloxynaphthalen-1-yl)-1,3-dioxan-2-yl]propyl]acetamide
PubChem CID53319197
Molecular FormulaC24H31NO4
Molecular Weight397.52 g/mol
Exact Mass397.23
IUPAC NameN-[3-[5-(6-cyclopentyloxynaphthalen-1-yl)-1,3-dioxan-2-yl]propyl]acetamide
SMILESCC(=O)NCCCC1OCC(c2cccc3cc(OC4CCCC4)ccc23)CO1
InChIInChI=1S/C24H31NO4/c1-17(26)25-13-5-10-24-27-15-19(16-28-24)22-9-4-6-18-14-21(11-12-23(18)22)29-20-7-2-3-8-20/h4,6,9,11-12,14,19-20,24H,2-3,5,7-8,10,13,15-16H2,1H3,(H,25,26)
InChIKeyMDYGHNYHSCHWJW-UHFFFAOYSA-N
XLogP4.53
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 54.53
H-Bond Donors ≤ 51
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 N-[3-[5-(6-cyclopentyloxynaphthalen-1-yl)-1,3-dioxan-2-yl]propyl]acetamide?
The IUPAC name of N-[3-[5-(6-cyclopentyloxynaphthalen-1-yl)-1,3-dioxan-2-yl]propyl]acetamide (CID 53319197) is N-[3-[5-(6-cyclopentyloxynaphthalen-1-yl)-1,3-dioxan-2-yl]propyl]acetamide.
What is the SMILES notation for N-[3-[5-(6-cyclopentyloxynaphthalen-1-yl)-1,3-dioxan-2-yl]propyl]acetamide?
The canonical SMILES for N-[3-[5-(6-cyclopentyloxynaphthalen-1-yl)-1,3-dioxan-2-yl]propyl]acetamide is CC(=O)NCCCC1OCC(c2cccc3cc(OC4CCCC4)ccc23)CO1.
What is the InChIKey of N-[3-[5-(6-cyclopentyloxynaphthalen-1-yl)-1,3-dioxan-2-yl]propyl]acetamide?
The InChIKey is MDYGHNYHSCHWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO4/c1-17(26)25-13-5-10-24-27-15-19(16-28-24)22-9-4-6-18-14-21(11-12-23(18)22)29-20-7-2-3-8-20/h4,6,9,11-12,14,19-20,24H,2-3,5,7-8,10,13,15-16H2,1H3,(H,25,26).
What are the key properties of N-[3-[5-(6-cyclopentyloxynaphthalen-1-yl)-1,3-dioxan-2-yl]propyl]acetamide?
N-[3-[5-(6-cyclopentyloxynaphthalen-1-yl)-1,3-dioxan-2-yl]propyl]acetamide has a molecular weight of 397.52 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(6-cyclopentyloxynaphthalen-1-yl)-1,3-dioxan-2-yl]propyl]acetamide is sourced from PubChem (CID 53319197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).