N-methyl-2-naphthalen-1-yloxy-N-(7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl)acetamide

C26H34N2O3 — CID 14155457

IUPACN-methyl-2-naphthalen-1-yloxy-N-(7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl)acetamide
SMILESCN(C(=O)COc1cccc2ccccc12)C1CCC2(CCCO2)CC1N1CCCC1
InChIInChI=1S/C26H34N2O3/c1-27(25(29)19-30-24-11-6-9-20-8-2-3-10-21(20)24)22-12-14-26(13-7-17-31-26)18-23(22)28-15-4-5-16-28/h2-3,6,8-11,22-23H,4-5,7,12-19H2,1H3
InChIKeyIDXGLCIIMAJDNE-UHFFFAOYSA-N
MW422.57 g/mol
LogP4.24
Rot. Bonds5

About N-methyl-2-naphthalen-1-yloxy-N-(7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl)acetamide

N-methyl-2-naphthalen-1-yloxy-N-(7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl)acetamide (PubChem CID 14155457) has the molecular formula C26H34N2O3 and a molecular weight of 422.57 g/mol. Its IUPAC name is N-methyl-2-naphthalen-1-yloxy-N-(7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl)acetamide.

Molecular Properties

Compound NameN-methyl-2-naphthalen-1-yloxy-N-(7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl)acetamide
PubChem CID14155457
Molecular FormulaC26H34N2O3
Molecular Weight422.57 g/mol
Exact Mass422.26
IUPAC NameN-methyl-2-naphthalen-1-yloxy-N-(7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl)acetamide
SMILESCN(C(=O)COc1cccc2ccccc12)C1CCC2(CCCO2)CC1N1CCCC1
InChIInChI=1S/C26H34N2O3/c1-27(25(29)19-30-24-11-6-9-20-8-2-3-10-21(20)24)22-12-14-26(13-7-17-31-26)18-23(22)28-15-4-5-16-28/h2-3,6,8-11,22-23H,4-5,7,12-19H2,1H3
InChIKeyIDXGLCIIMAJDNE-UHFFFAOYSA-N
XLogP4.24
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-naphthalen-1-yloxy-N-(7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl)acetamide?
The IUPAC name of N-methyl-2-naphthalen-1-yloxy-N-(7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl)acetamide (CID 14155457) is N-methyl-2-naphthalen-1-yloxy-N-(7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl)acetamide.
What is the SMILES notation for N-methyl-2-naphthalen-1-yloxy-N-(7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl)acetamide?
The canonical SMILES for N-methyl-2-naphthalen-1-yloxy-N-(7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl)acetamide is CN(C(=O)COc1cccc2ccccc12)C1CCC2(CCCO2)CC1N1CCCC1.
What is the InChIKey of N-methyl-2-naphthalen-1-yloxy-N-(7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl)acetamide?
The InChIKey is IDXGLCIIMAJDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O3/c1-27(25(29)19-30-24-11-6-9-20-8-2-3-10-21(20)24)22-12-14-26(13-7-17-31-26)18-23(22)28-15-4-5-16-28/h2-3,6,8-11,22-23H,4-5,7,12-19H2,1H3.
What are the key properties of N-methyl-2-naphthalen-1-yloxy-N-(7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl)acetamide?
N-methyl-2-naphthalen-1-yloxy-N-(7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl)acetamide has a molecular weight of 422.57 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-naphthalen-1-yloxy-N-(7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl)acetamide is sourced from PubChem (CID 14155457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).