N-[2,6-di(propan-2-yl)phenyl]-2-[1-(1-hydroxybutyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide

C26H41N3O3 — CID 68630626

IUPACN-[2,6-di(propan-2-yl)phenyl]-2-[1-(1-hydroxybutyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
SMILESCCCC(O)N1C(=O)N(CC(=O)Nc2c(C(C)C)cccc2C(C)C)CC12CCCCC2
InChIInChI=1S/C26H41N3O3/c1-6-11-23(31)29-25(32)28(17-26(29)14-8-7-9-15-26)16-22(30)27-24-20(18(2)3)12-10-13-21(24)19(4)5/h10,12-13,18-19,23,31H,6-9,11,14-17H2,1-5H3,(H,27,30)
InChIKeyCIBGMRPNJZHPDG-UHFFFAOYSA-N
MW443.63 g/mol
LogP5.43
Rot. Bonds8

About N-[2,6-di(propan-2-yl)phenyl]-2-[1-(1-hydroxybutyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide

N-[2,6-di(propan-2-yl)phenyl]-2-[1-(1-hydroxybutyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide (PubChem CID 68630626) has the molecular formula C26H41N3O3 and a molecular weight of 443.63 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]-2-[1-(1-hydroxybutyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]-2-[1-(1-hydroxybutyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
PubChem CID68630626
Molecular FormulaC26H41N3O3
Molecular Weight443.63 g/mol
Exact Mass443.31
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]-2-[1-(1-hydroxybutyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
SMILESCCCC(O)N1C(=O)N(CC(=O)Nc2c(C(C)C)cccc2C(C)C)CC12CCCCC2
InChIInChI=1S/C26H41N3O3/c1-6-11-23(31)29-25(32)28(17-26(29)14-8-7-9-15-26)16-22(30)27-24-20(18(2)3)12-10-13-21(24)19(4)5/h10,12-13,18-19,23,31H,6-9,11,14-17H2,1-5H3,(H,27,30)
InChIKeyCIBGMRPNJZHPDG-UHFFFAOYSA-N
XLogP5.43
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.63
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-2-[1-(1-hydroxybutyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-2-[1-(1-hydroxybutyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide (CID 68630626) is N-[2,6-di(propan-2-yl)phenyl]-2-[1-(1-hydroxybutyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]-2-[1-(1-hydroxybutyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]-2-[1-(1-hydroxybutyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide is CCCC(O)N1C(=O)N(CC(=O)Nc2c(C(C)C)cccc2C(C)C)CC12CCCCC2.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]-2-[1-(1-hydroxybutyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
The InChIKey is CIBGMRPNJZHPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H41N3O3/c1-6-11-23(31)29-25(32)28(17-26(29)14-8-7-9-15-26)16-22(30)27-24-20(18(2)3)12-10-13-21(24)19(4)5/h10,12-13,18-19,23,31H,6-9,11,14-17H2,1-5H3,(H,27,30).
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]-2-[1-(1-hydroxybutyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
N-[2,6-di(propan-2-yl)phenyl]-2-[1-(1-hydroxybutyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide has a molecular weight of 443.63 g/mol, XLogP of 5.43, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-di(propan-2-yl)phenyl]-2-[1-(1-hydroxybutyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide is sourced from PubChem (CID 68630626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).