3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(1,3-oxazol-2-ylmethyl)propanamide

C28H39N5O3 — CID 130200874

IUPAC3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(1,3-oxazol-2-ylmethyl)propanamide
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(CCC(=O)NCc1ncco1)C(=O)N2CC1CCC1
InChIInChI=1S/C28H39N5O3/c1-31(2)28(23-9-4-3-5-10-23)14-12-27(13-15-28)21-32(26(35)33(27)20-22-7-6-8-22)17-11-24(34)30-19-25-29-16-18-36-25/h3-5,9-10,16,18,22H,6-8,11-15,17,19-21H2,1-2H3,(H,30,34)
InChIKeyCVIYVJAIWBCRLD-UHFFFAOYSA-N
MW493.65 g/mol
LogP3.99
Rot. Bonds9

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

3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(1,3-oxazol-2-ylmethyl)propanamide (PubChem CID 130200874) has the molecular formula C28H39N5O3 and a molecular weight of 493.65 g/mol. Its IUPAC name is 3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(1,3-oxazol-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(1,3-oxazol-2-ylmethyl)propanamide
PubChem CID130200874
Molecular FormulaC28H39N5O3
Molecular Weight493.65 g/mol
Exact Mass493.31
IUPAC Name3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(1,3-oxazol-2-ylmethyl)propanamide
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(CCC(=O)NCc1ncco1)C(=O)N2CC1CCC1
InChIInChI=1S/C28H39N5O3/c1-31(2)28(23-9-4-3-5-10-23)14-12-27(13-15-28)21-32(26(35)33(27)20-22-7-6-8-22)17-11-24(34)30-19-25-29-16-18-36-25/h3-5,9-10,16,18,22H,6-8,11-15,17,19-21H2,1-2H3,(H,30,34)
InChIKeyCVIYVJAIWBCRLD-UHFFFAOYSA-N
XLogP3.99
TPSA81.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.65
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(1,3-oxazol-2-ylmethyl)propanamide?
The IUPAC name of 3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(1,3-oxazol-2-ylmethyl)propanamide (CID 130200874) is 3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(1,3-oxazol-2-ylmethyl)propanamide.
What is the SMILES notation for 3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(1,3-oxazol-2-ylmethyl)propanamide?
The canonical SMILES for 3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(1,3-oxazol-2-ylmethyl)propanamide is CN(C)C1(c2ccccc2)CCC2(CC1)CN(CCC(=O)NCc1ncco1)C(=O)N2CC1CCC1.
What is the InChIKey of 3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(1,3-oxazol-2-ylmethyl)propanamide?
The InChIKey is CVIYVJAIWBCRLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39N5O3/c1-31(2)28(23-9-4-3-5-10-23)14-12-27(13-15-28)21-32(26(35)33(27)20-22-7-6-8-22)17-11-24(34)30-19-25-29-16-18-36-25/h3-5,9-10,16,18,22H,6-8,11-15,17,19-21H2,1-2H3,(H,30,34).
What are the key properties of 3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(1,3-oxazol-2-ylmethyl)propanamide?
3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(1,3-oxazol-2-ylmethyl)propanamide has a molecular weight of 493.65 g/mol, XLogP of 3.99, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(1,3-oxazol-2-ylmethyl)propanamide is sourced from PubChem (CID 130200874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).