N-benzyl-2-[5-[4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethoxy]phenyl]-2-pyridinyl]acetamide

C29H33N3O4 — CID 166626691

IUPACN-benzyl-2-[5-[4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethoxy]phenyl]-2-pyridinyl]acetamide
SMILESO=C(Cc1ccc(-c2ccc(OCCN3CCC4(CC3)OCCO4)cc2)cn1)NCc1ccccc1
InChIInChI=1S/C29H33N3O4/c33-28(31-21-23-4-2-1-3-5-23)20-26-9-6-25(22-30-26)24-7-10-27(11-8-24)34-17-16-32-14-12-29(13-15-32)35-18-19-36-29/h1-11,22H,12-21H2,(H,31,33)
InChIKeyZFOHZTSEWSLGEO-UHFFFAOYSA-N
MW487.60 g/mol
LogP3.83
Rot. Bonds9

About N-benzyl-2-[5-[4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethoxy]phenyl]-2-pyridinyl]acetamide

N-benzyl-2-[5-[4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethoxy]phenyl]-2-pyridinyl]acetamide (PubChem CID 166626691) has the molecular formula C29H33N3O4 and a molecular weight of 487.60 g/mol. Its IUPAC name is N-benzyl-2-[5-[4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethoxy]phenyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[5-[4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethoxy]phenyl]-2-pyridinyl]acetamide
PubChem CID166626691
Molecular FormulaC29H33N3O4
Molecular Weight487.60 g/mol
Exact Mass487.25
IUPAC NameN-benzyl-2-[5-[4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethoxy]phenyl]-2-pyridinyl]acetamide
SMILESO=C(Cc1ccc(-c2ccc(OCCN3CCC4(CC3)OCCO4)cc2)cn1)NCc1ccccc1
InChIInChI=1S/C29H33N3O4/c33-28(31-21-23-4-2-1-3-5-23)20-26-9-6-25(22-30-26)24-7-10-27(11-8-24)34-17-16-32-14-12-29(13-15-32)35-18-19-36-29/h1-11,22H,12-21H2,(H,31,33)
InChIKeyZFOHZTSEWSLGEO-UHFFFAOYSA-N
XLogP3.83
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.60
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[5-[4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethoxy]phenyl]-2-pyridinyl]acetamide?
The IUPAC name of N-benzyl-2-[5-[4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethoxy]phenyl]-2-pyridinyl]acetamide (CID 166626691) is N-benzyl-2-[5-[4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethoxy]phenyl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-benzyl-2-[5-[4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethoxy]phenyl]-2-pyridinyl]acetamide?
The canonical SMILES for N-benzyl-2-[5-[4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethoxy]phenyl]-2-pyridinyl]acetamide is O=C(Cc1ccc(-c2ccc(OCCN3CCC4(CC3)OCCO4)cc2)cn1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[5-[4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethoxy]phenyl]-2-pyridinyl]acetamide?
The InChIKey is ZFOHZTSEWSLGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O4/c33-28(31-21-23-4-2-1-3-5-23)20-26-9-6-25(22-30-26)24-7-10-27(11-8-24)34-17-16-32-14-12-29(13-15-32)35-18-19-36-29/h1-11,22H,12-21H2,(H,31,33).
What are the key properties of N-benzyl-2-[5-[4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethoxy]phenyl]-2-pyridinyl]acetamide?
N-benzyl-2-[5-[4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethoxy]phenyl]-2-pyridinyl]acetamide has a molecular weight of 487.60 g/mol, XLogP of 3.83, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[5-[4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethoxy]phenyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 166626691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).