3-[8-(dimethylamino)-3-oxo-8-phenyl-2-azaspiro[4.5]decan-2-yl]-2,2-dimethyl-N-(2-pyrimidin-5-ylethyl)propanamide

C28H39N5O2 — CID 118666681

IUPAC3-[8-(dimethylamino)-3-oxo-8-phenyl-2-azaspiro[4.5]decan-2-yl]-2,2-dimethyl-N-(2-pyrimidin-5-ylethyl)propanamide
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CC(=O)N(CC(C)(C)C(=O)NCCc1cncnc1)C2
InChIInChI=1S/C28H39N5O2/c1-26(2,25(35)31-15-10-22-17-29-21-30-18-22)19-33-20-27(16-24(33)34)11-13-28(14-12-27,32(3)4)23-8-6-5-7-9-23/h5-9,17-18,21H,10-16,19-20H2,1-4H3,(H,31,35)
InChIKeySYDZQYBGRCSRSH-UHFFFAOYSA-N
MW477.65 g/mol
LogP3.41
Rot. Bonds8

About 3-[8-(dimethylamino)-3-oxo-8-phenyl-2-azaspiro[4.5]decan-2-yl]-2,2-dimethyl-N-(2-pyrimidin-5-ylethyl)propanamide

3-[8-(dimethylamino)-3-oxo-8-phenyl-2-azaspiro[4.5]decan-2-yl]-2,2-dimethyl-N-(2-pyrimidin-5-ylethyl)propanamide (PubChem CID 118666681) has the molecular formula C28H39N5O2 and a molecular weight of 477.65 g/mol. Its IUPAC name is 3-[8-(dimethylamino)-3-oxo-8-phenyl-2-azaspiro[4.5]decan-2-yl]-2,2-dimethyl-N-(2-pyrimidin-5-ylethyl)propanamide.

Molecular Properties

Compound Name3-[8-(dimethylamino)-3-oxo-8-phenyl-2-azaspiro[4.5]decan-2-yl]-2,2-dimethyl-N-(2-pyrimidin-5-ylethyl)propanamide
PubChem CID118666681
Molecular FormulaC28H39N5O2
Molecular Weight477.65 g/mol
Exact Mass477.31
IUPAC Name3-[8-(dimethylamino)-3-oxo-8-phenyl-2-azaspiro[4.5]decan-2-yl]-2,2-dimethyl-N-(2-pyrimidin-5-ylethyl)propanamide
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CC(=O)N(CC(C)(C)C(=O)NCCc1cncnc1)C2
InChIInChI=1S/C28H39N5O2/c1-26(2,25(35)31-15-10-22-17-29-21-30-18-22)19-33-20-27(16-24(33)34)11-13-28(14-12-27,32(3)4)23-8-6-5-7-9-23/h5-9,17-18,21H,10-16,19-20H2,1-4H3,(H,31,35)
InChIKeySYDZQYBGRCSRSH-UHFFFAOYSA-N
XLogP3.41
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.65
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[8-(dimethylamino)-3-oxo-8-phenyl-2-azaspiro[4.5]decan-2-yl]-2,2-dimethyl-N-(2-pyrimidin-5-ylethyl)propanamide?
The IUPAC name of 3-[8-(dimethylamino)-3-oxo-8-phenyl-2-azaspiro[4.5]decan-2-yl]-2,2-dimethyl-N-(2-pyrimidin-5-ylethyl)propanamide (CID 118666681) is 3-[8-(dimethylamino)-3-oxo-8-phenyl-2-azaspiro[4.5]decan-2-yl]-2,2-dimethyl-N-(2-pyrimidin-5-ylethyl)propanamide.
What is the SMILES notation for 3-[8-(dimethylamino)-3-oxo-8-phenyl-2-azaspiro[4.5]decan-2-yl]-2,2-dimethyl-N-(2-pyrimidin-5-ylethyl)propanamide?
The canonical SMILES for 3-[8-(dimethylamino)-3-oxo-8-phenyl-2-azaspiro[4.5]decan-2-yl]-2,2-dimethyl-N-(2-pyrimidin-5-ylethyl)propanamide is CN(C)C1(c2ccccc2)CCC2(CC1)CC(=O)N(CC(C)(C)C(=O)NCCc1cncnc1)C2.
What is the InChIKey of 3-[8-(dimethylamino)-3-oxo-8-phenyl-2-azaspiro[4.5]decan-2-yl]-2,2-dimethyl-N-(2-pyrimidin-5-ylethyl)propanamide?
The InChIKey is SYDZQYBGRCSRSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39N5O2/c1-26(2,25(35)31-15-10-22-17-29-21-30-18-22)19-33-20-27(16-24(33)34)11-13-28(14-12-27,32(3)4)23-8-6-5-7-9-23/h5-9,17-18,21H,10-16,19-20H2,1-4H3,(H,31,35).
What are the key properties of 3-[8-(dimethylamino)-3-oxo-8-phenyl-2-azaspiro[4.5]decan-2-yl]-2,2-dimethyl-N-(2-pyrimidin-5-ylethyl)propanamide?
3-[8-(dimethylamino)-3-oxo-8-phenyl-2-azaspiro[4.5]decan-2-yl]-2,2-dimethyl-N-(2-pyrimidin-5-ylethyl)propanamide has a molecular weight of 477.65 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-(dimethylamino)-3-oxo-8-phenyl-2-azaspiro[4.5]decan-2-yl]-2,2-dimethyl-N-(2-pyrimidin-5-ylethyl)propanamide is sourced from PubChem (CID 118666681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).