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

C28H37N5O2 — CID 130200781

IUPAC2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-pyridin-2-ylacetamide
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)Nc1ccccn1)C(=O)N2CC1CCC1
InChIInChI=1S/C28H37N5O2/c1-31(2)28(23-11-4-3-5-12-23)16-14-27(15-17-28)21-32(26(35)33(27)19-22-9-8-10-22)20-25(34)30-24-13-6-7-18-29-24/h3-7,11-13,18,22H,8-10,14-17,19-21H2,1-2H3,(H,29,30,34)
InChIKeyULNGVXXCIPWAOF-UHFFFAOYSA-N
MW475.64 g/mol
LogP4.33
Rot. Bonds7

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

2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-pyridin-2-ylacetamide (PubChem CID 130200781) has the molecular formula C28H37N5O2 and a molecular weight of 475.64 g/mol. Its IUPAC name is 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-pyridin-2-ylacetamide.

Molecular Properties

Compound Name2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-pyridin-2-ylacetamide
PubChem CID130200781
Molecular FormulaC28H37N5O2
Molecular Weight475.64 g/mol
Exact Mass475.29
IUPAC Name2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-pyridin-2-ylacetamide
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)Nc1ccccn1)C(=O)N2CC1CCC1
InChIInChI=1S/C28H37N5O2/c1-31(2)28(23-11-4-3-5-12-23)16-14-27(15-17-28)21-32(26(35)33(27)19-22-9-8-10-22)20-25(34)30-24-13-6-7-18-29-24/h3-7,11-13,18,22H,8-10,14-17,19-21H2,1-2H3,(H,29,30,34)
InChIKeyULNGVXXCIPWAOF-UHFFFAOYSA-N
XLogP4.33
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.64
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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]-N-pyridin-2-ylacetamide?
The IUPAC name of 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-pyridin-2-ylacetamide (CID 130200781) is 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-pyridin-2-ylacetamide.
What is the SMILES notation for 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-pyridin-2-ylacetamide?
The canonical SMILES for 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-pyridin-2-ylacetamide is CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)Nc1ccccn1)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]-N-pyridin-2-ylacetamide?
The InChIKey is ULNGVXXCIPWAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N5O2/c1-31(2)28(23-11-4-3-5-12-23)16-14-27(15-17-28)21-32(26(35)33(27)19-22-9-8-10-22)20-25(34)30-24-13-6-7-18-29-24/h3-7,11-13,18,22H,8-10,14-17,19-21H2,1-2H3,(H,29,30,34).
What are the key properties of 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-pyridin-2-ylacetamide?
2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-pyridin-2-ylacetamide has a molecular weight of 475.64 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 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]-N-pyridin-2-ylacetamide is sourced from PubChem (CID 130200781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).