2-[1-(cyclobutylmethyl)-8-[methyl(2-methylpropyl)amino]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide

C27H42N4O2 — CID 130200490

IUPAC2-[1-(cyclobutylmethyl)-8-[methyl(2-methylpropyl)amino]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide
SMILESCNC(=O)CN1CC2(CCC(c3ccccc3)(N(C)CC(C)C)CC2)N(CC2CCC2)C1=O
InChIInChI=1S/C27H42N4O2/c1-21(2)17-29(4)27(23-11-6-5-7-12-23)15-13-26(14-16-27)20-30(19-24(32)28-3)25(33)31(26)18-22-9-8-10-22/h5-7,11-12,21-22H,8-10,13-20H2,1-4H3,(H,28,32)
InChIKeyOLKNEYLQFQEAAF-UHFFFAOYSA-N
MW454.66 g/mol
LogP4.07
Rot. Bonds8

About 2-[1-(cyclobutylmethyl)-8-[methyl(2-methylpropyl)amino]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide

2-[1-(cyclobutylmethyl)-8-[methyl(2-methylpropyl)amino]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide (PubChem CID 130200490) has the molecular formula C27H42N4O2 and a molecular weight of 454.66 g/mol. Its IUPAC name is 2-[1-(cyclobutylmethyl)-8-[methyl(2-methylpropyl)amino]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[1-(cyclobutylmethyl)-8-[methyl(2-methylpropyl)amino]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide
PubChem CID130200490
Molecular FormulaC27H42N4O2
Molecular Weight454.66 g/mol
Exact Mass454.33
IUPAC Name2-[1-(cyclobutylmethyl)-8-[methyl(2-methylpropyl)amino]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide
SMILESCNC(=O)CN1CC2(CCC(c3ccccc3)(N(C)CC(C)C)CC2)N(CC2CCC2)C1=O
InChIInChI=1S/C27H42N4O2/c1-21(2)17-29(4)27(23-11-6-5-7-12-23)15-13-26(14-16-27)20-30(19-24(32)28-3)25(33)31(26)18-22-9-8-10-22/h5-7,11-12,21-22H,8-10,13-20H2,1-4H3,(H,28,32)
InChIKeyOLKNEYLQFQEAAF-UHFFFAOYSA-N
XLogP4.07
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.66
LogP ≤ 54.07
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-[methyl(2-methylpropyl)amino]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide?
The IUPAC name of 2-[1-(cyclobutylmethyl)-8-[methyl(2-methylpropyl)amino]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide (CID 130200490) is 2-[1-(cyclobutylmethyl)-8-[methyl(2-methylpropyl)amino]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide.
What is the SMILES notation for 2-[1-(cyclobutylmethyl)-8-[methyl(2-methylpropyl)amino]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide?
The canonical SMILES for 2-[1-(cyclobutylmethyl)-8-[methyl(2-methylpropyl)amino]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide is CNC(=O)CN1CC2(CCC(c3ccccc3)(N(C)CC(C)C)CC2)N(CC2CCC2)C1=O.
What is the InChIKey of 2-[1-(cyclobutylmethyl)-8-[methyl(2-methylpropyl)amino]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide?
The InChIKey is OLKNEYLQFQEAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H42N4O2/c1-21(2)17-29(4)27(23-11-6-5-7-12-23)15-13-26(14-16-27)20-30(19-24(32)28-3)25(33)31(26)18-22-9-8-10-22/h5-7,11-12,21-22H,8-10,13-20H2,1-4H3,(H,28,32).
What are the key properties of 2-[1-(cyclobutylmethyl)-8-[methyl(2-methylpropyl)amino]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide?
2-[1-(cyclobutylmethyl)-8-[methyl(2-methylpropyl)amino]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide has a molecular weight of 454.66 g/mol, XLogP of 4.07, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclobutylmethyl)-8-[methyl(2-methylpropyl)amino]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide is sourced from PubChem (CID 130200490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).