N-(3-methoxypropyl)-2-(2-naphthalen-1-ylpyrrolidin-1-yl)acetamide

C20H26N2O2 — CID 47706706

IUPACN-(3-methoxypropyl)-2-(2-naphthalen-1-ylpyrrolidin-1-yl)acetamide
SMILESCOCCCNC(=O)CN1CCCC1c1cccc2ccccc12
InChIInChI=1S/C20H26N2O2/c1-24-14-6-12-21-20(23)15-22-13-5-11-19(22)18-10-4-8-16-7-2-3-9-17(16)18/h2-4,7-10,19H,5-6,11-15H2,1H3,(H,21,23)
InChIKeyYKMLWTXFHBFNBJ-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.13
Rot. Bonds7

About N-(3-methoxypropyl)-2-(2-naphthalen-1-ylpyrrolidin-1-yl)acetamide

N-(3-methoxypropyl)-2-(2-naphthalen-1-ylpyrrolidin-1-yl)acetamide (PubChem CID 47706706) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-(2-naphthalen-1-ylpyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-(2-naphthalen-1-ylpyrrolidin-1-yl)acetamide
PubChem CID47706706
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC NameN-(3-methoxypropyl)-2-(2-naphthalen-1-ylpyrrolidin-1-yl)acetamide
SMILESCOCCCNC(=O)CN1CCCC1c1cccc2ccccc12
InChIInChI=1S/C20H26N2O2/c1-24-14-6-12-21-20(23)15-22-13-5-11-19(22)18-10-4-8-16-7-2-3-9-17(16)18/h2-4,7-10,19H,5-6,11-15H2,1H3,(H,21,23)
InChIKeyYKMLWTXFHBFNBJ-UHFFFAOYSA-N
XLogP3.13
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-methoxypropyl)-2-(2-naphthalen-1-ylpyrrolidin-1-yl)acetamide?
The IUPAC name of N-(3-methoxypropyl)-2-(2-naphthalen-1-ylpyrrolidin-1-yl)acetamide (CID 47706706) is N-(3-methoxypropyl)-2-(2-naphthalen-1-ylpyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-(2-naphthalen-1-ylpyrrolidin-1-yl)acetamide?
The canonical SMILES for N-(3-methoxypropyl)-2-(2-naphthalen-1-ylpyrrolidin-1-yl)acetamide is COCCCNC(=O)CN1CCCC1c1cccc2ccccc12.
What is the InChIKey of N-(3-methoxypropyl)-2-(2-naphthalen-1-ylpyrrolidin-1-yl)acetamide?
The InChIKey is YKMLWTXFHBFNBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-24-14-6-12-21-20(23)15-22-13-5-11-19(22)18-10-4-8-16-7-2-3-9-17(16)18/h2-4,7-10,19H,5-6,11-15H2,1H3,(H,21,23).
What are the key properties of N-(3-methoxypropyl)-2-(2-naphthalen-1-ylpyrrolidin-1-yl)acetamide?
N-(3-methoxypropyl)-2-(2-naphthalen-1-ylpyrrolidin-1-yl)acetamide has a molecular weight of 326.44 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-(2-naphthalen-1-ylpyrrolidin-1-yl)acetamide is sourced from PubChem (CID 47706706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).