3-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-pyrimidin-5-ylpropanamide

C28H38N6O3 — CID 130200818

IUPAC3-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-pyrimidin-5-ylpropanamide
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(CCC(=O)Nc1cncnc1)C(=O)N2CC1(O)CCC1
InChIInChI=1S/C28H38N6O3/c1-32(2)28(22-7-4-3-5-8-22)14-12-26(13-15-28)19-33(25(36)34(26)20-27(37)10-6-11-27)16-9-24(35)31-23-17-29-21-30-18-23/h3-5,7-8,17-18,21,37H,6,9-16,19-20H2,1-2H3,(H,31,35)
InChIKeyLEVXXVNOJPJUGS-UHFFFAOYSA-N
MW506.65 g/mol
LogP3.23
Rot. Bonds8

About 3-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-pyrimidin-5-ylpropanamide

3-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-pyrimidin-5-ylpropanamide (PubChem CID 130200818) has the molecular formula C28H38N6O3 and a molecular weight of 506.65 g/mol. Its IUPAC name is 3-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-pyrimidin-5-ylpropanamide.

Molecular Properties

Compound Name3-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-pyrimidin-5-ylpropanamide
PubChem CID130200818
Molecular FormulaC28H38N6O3
Molecular Weight506.65 g/mol
Exact Mass506.30
IUPAC Name3-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-pyrimidin-5-ylpropanamide
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(CCC(=O)Nc1cncnc1)C(=O)N2CC1(O)CCC1
InChIInChI=1S/C28H38N6O3/c1-32(2)28(22-7-4-3-5-8-22)14-12-26(13-15-28)19-33(25(36)34(26)20-27(37)10-6-11-27)16-9-24(35)31-23-17-29-21-30-18-23/h3-5,7-8,17-18,21,37H,6,9-16,19-20H2,1-2H3,(H,31,35)
InChIKeyLEVXXVNOJPJUGS-UHFFFAOYSA-N
XLogP3.23
TPSA101.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.65
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-pyrimidin-5-ylpropanamide?
The IUPAC name of 3-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-pyrimidin-5-ylpropanamide (CID 130200818) is 3-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-pyrimidin-5-ylpropanamide.
What is the SMILES notation for 3-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-pyrimidin-5-ylpropanamide?
The canonical SMILES for 3-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-pyrimidin-5-ylpropanamide is CN(C)C1(c2ccccc2)CCC2(CC1)CN(CCC(=O)Nc1cncnc1)C(=O)N2CC1(O)CCC1.
What is the InChIKey of 3-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-pyrimidin-5-ylpropanamide?
The InChIKey is LEVXXVNOJPJUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N6O3/c1-32(2)28(22-7-4-3-5-8-22)14-12-26(13-15-28)19-33(25(36)34(26)20-27(37)10-6-11-27)16-9-24(35)31-23-17-29-21-30-18-23/h3-5,7-8,17-18,21,37H,6,9-16,19-20H2,1-2H3,(H,31,35).
What are the key properties of 3-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-pyrimidin-5-ylpropanamide?
3-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-pyrimidin-5-ylpropanamide has a molecular weight of 506.65 g/mol, XLogP of 3.23, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-pyrimidin-5-ylpropanamide is sourced from PubChem (CID 130200818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).