2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide

C23H34N4O2 — CID 130200750

IUPAC2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(N)=O)C(=O)N2CC1CCC1
InChIInChI=1S/C23H34N4O2/c1-25(2)23(19-9-4-3-5-10-19)13-11-22(12-14-23)17-26(16-20(24)28)21(29)27(22)15-18-7-6-8-18/h3-5,9-10,18H,6-8,11-17H2,1-2H3,(H2,24,28)
InChIKeyYEUHJHLQFRWSHE-UHFFFAOYSA-N
MW398.55 g/mol
LogP2.78
Rot. Bonds6

About 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide

2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide (PubChem CID 130200750) has the molecular formula C23H34N4O2 and a molecular weight of 398.55 g/mol. Its IUPAC name is 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide.

Molecular Properties

Compound Name2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide
PubChem CID130200750
Molecular FormulaC23H34N4O2
Molecular Weight398.55 g/mol
Exact Mass398.27
IUPAC Name2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(N)=O)C(=O)N2CC1CCC1
InChIInChI=1S/C23H34N4O2/c1-25(2)23(19-9-4-3-5-10-19)13-11-22(12-14-23)17-26(16-20(24)28)21(29)27(22)15-18-7-6-8-18/h3-5,9-10,18H,6-8,11-17H2,1-2H3,(H2,24,28)
InChIKeyYEUHJHLQFRWSHE-UHFFFAOYSA-N
XLogP2.78
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
The IUPAC name of 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide (CID 130200750) is 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide.
What is the SMILES notation for 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
The canonical SMILES for 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide is CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(N)=O)C(=O)N2CC1CCC1.
What is the InChIKey of 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
The InChIKey is YEUHJHLQFRWSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O2/c1-25(2)23(19-9-4-3-5-10-19)13-11-22(12-14-23)17-26(16-20(24)28)21(29)27(22)15-18-7-6-8-18/h3-5,9-10,18H,6-8,11-17H2,1-2H3,(H2,24,28).
What are the key properties of 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide has a molecular weight of 398.55 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide is sourced from PubChem (CID 130200750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).