2-[1-(4-butylphenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide

C32H45N3O2 — CID 25227339

IUPAC2-[1-(4-butylphenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide
SMILESCCCCc1ccc(N2C(=O)N(CC(=O)Nc3c(C(C)C)cccc3C(C)C)CC23CCCCC3)cc1
InChIInChI=1S/C32H45N3O2/c1-6-7-12-25-15-17-26(18-16-25)35-31(37)34(22-32(35)19-9-8-10-20-32)21-29(36)33-30-27(23(2)3)13-11-14-28(30)24(4)5/h11,13-18,23-24H,6-10,12,19-22H2,1-5H3,(H,33,36)
InChIKeyWSLBOHDOBHRAET-UHFFFAOYSA-N
MW503.73 g/mol
LogP7.86
Rot. Bonds9

About 2-[1-(4-butylphenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide

2-[1-(4-butylphenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide (PubChem CID 25227339) has the molecular formula C32H45N3O2 and a molecular weight of 503.73 g/mol. Its IUPAC name is 2-[1-(4-butylphenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[1-(4-butylphenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide
PubChem CID25227339
Molecular FormulaC32H45N3O2
Molecular Weight503.73 g/mol
Exact Mass503.35
IUPAC Name2-[1-(4-butylphenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide
SMILESCCCCc1ccc(N2C(=O)N(CC(=O)Nc3c(C(C)C)cccc3C(C)C)CC23CCCCC3)cc1
InChIInChI=1S/C32H45N3O2/c1-6-7-12-25-15-17-26(18-16-25)35-31(37)34(22-32(35)19-9-8-10-20-32)21-29(36)33-30-27(23(2)3)13-11-14-28(30)24(4)5/h11,13-18,23-24H,6-10,12,19-22H2,1-5H3,(H,33,36)
InChIKeyWSLBOHDOBHRAET-UHFFFAOYSA-N
XLogP7.86
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.73
LogP ≤ 57.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-butylphenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide?
The IUPAC name of 2-[1-(4-butylphenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide (CID 25227339) is 2-[1-(4-butylphenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-[1-(4-butylphenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide?
The canonical SMILES for 2-[1-(4-butylphenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide is CCCCc1ccc(N2C(=O)N(CC(=O)Nc3c(C(C)C)cccc3C(C)C)CC23CCCCC3)cc1.
What is the InChIKey of 2-[1-(4-butylphenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide?
The InChIKey is WSLBOHDOBHRAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H45N3O2/c1-6-7-12-25-15-17-26(18-16-25)35-31(37)34(22-32(35)19-9-8-10-20-32)21-29(36)33-30-27(23(2)3)13-11-14-28(30)24(4)5/h11,13-18,23-24H,6-10,12,19-22H2,1-5H3,(H,33,36).
What are the key properties of 2-[1-(4-butylphenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide?
2-[1-(4-butylphenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide has a molecular weight of 503.73 g/mol, XLogP of 7.86, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-butylphenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide is sourced from PubChem (CID 25227339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).